UCSF

ZINC21992053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 11 Yes

Popular Name: 1H-Indole-7-carbonitrile 1H-Indole-7-carbonitrile

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CAS Number: 96631-87-7

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 4.91 -7.03 1 2 0 40 142.161 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )