UCSF

ZINC01700218

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 Yes

Popular Name: 2-Naphthoylacetonitrile 2-Naphthoylacetonitrile

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CAS Numbers: 613-57-0 , [613-57-0]

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) 2.10 2.9 -15.41 0 2 0 41 195.221 2 ↓

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