Enter Any Chemical Compound comprising C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As.
Once entered, we will perform the following steps:
Quantum Chemical Computation
QSQN Technology Application
Rename
Enter a new name
Enter Any Chemical Compound
Enter any chemical identifier you prefer, such as the name, formula, CAS registry number, SMILES string, or InChI.
Chemical Identifier Example:
Name: ethanol
CAS #: 64-17-5
Formula: C2H5OH
Smiles: CCO
InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
If you have a structure (MOL) file, you can attach it by clicking the clip button (
)
and selecting your MOL file from your hard drive. Ensure the file has a '*.mol' extension.
Click ‘Draw Structure →’ to manually draw and enter a compound.
Contact Us for Support.
Schedule
CC-DPS processing time ranges from 2 to 20 business days per compound depending on the compound size (larger takes longer), typically completing within 5 business days.
To check the status of your processing, click on the desired compound listed under 'My Compounds' on the left panel.
You will receive an email notification once processing is complete.
Free Trial
Sign Up Benefit: Free unlimited access to full CC-DPS information for any compounds with up to 5 non-hydrogen atoms (up to 2 for free radicals).
For Larger Compounds: Fees are based on the number of non-hydrogen atoms for compounds with more than 5. Pricing details are provided during entry.
For Paid Mol-Instincts subscribers: click ''.
Claim Free CC-DPS Processing
For Mol-Instincts paid subscribers, CC-DPS processing is free for all compounds.
To claim, click ‘ ’ and provide your compound details along with both your CC-DPS and Mol-Instincts usernames (email).
Verify Your Compound.
Structure
3D image generation time exceeded for
this compound; unable to display image.
Click ‘’ for assistance.
Rotation, zoom in, and zoom out enabled with mouse.
Identifier
Formula
C4H10SMILES
CCCCInChI
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3Is this the correct compound?
Complete Entry.
Number of non-hydrogen atoms
4Fee Status
FreePrice (USD)
$0.00Free for compounds with up to 5 non-hydrogen atoms (up to 2 for free radicals).
Promo code
Discount
Total Price (USD)
If you are a Mol-Instincts paid subscriber, click '
Try a Different Identifier.
Please try using a different identifier than the one previously entered.
We recommend using an InChI, which can be generated at the NIH Chemical Identifier Resolver.
Click ‘’ for assistance.
Inapplicable Unit Detected.
The chemical compound or radical identifier you entered contains elements that not supported by our processing system.
Inapplicable unit detected: Na
Please enter a compound consisting solely of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As, or a radical consisting solely of C, H, N, O, and/or S.
Click ‘’ for assistance.
Exceeds 50 Non-Hydrogen Atoms
The compound you entered contains more than 50 non-hydrogen atoms, necessitating specialized processing for 3-dimensional structure generation, including conformer analysis.
To proceed with customized CC-DPS processing, please contact us at contact@cc-dps.com.
Compound Identification Infeasible.
The chemical compound identifier entered cannot be identified.
Please try a different identifier than the one previously used.
We recommend using an InChI, which you can generate at the NIH Chemical Identifier Resolver.
Click ‘’ for assistance.
Already Processed.
The chemical compound identifier you entered has already been processed in the past.
Entry Complete.
Your compound entry is complete and processing will commence immediately.
CC-DPS processing time ranges from 2 to 20 business days per compound depending on the compound size (larger takes longer), typically completing within 5 business days. Email notifications will be sent to you upon completion.
To check the status of your processing, click on the desired compound listed under 'My Compounds' on the left panel.
Thank you for choosing our CC-DPS information.
Draw Structure