UCSF

ZINC34423121

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 16 Yes

Popular Name: 3-(3-Cyanobenzoyl)pyridine 3-(3-Cyanobenzoyl)pyridine

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CAS Number: 140182-36-1

Other Names:

MFCD13152910

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) 1.89 6.37 -9.53 0 3 0 54 208.22 2 ↓

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