UCSF

ZINC01756662

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: 5-Oxo-5-phenylvaleronitrile 5-Oxo-5-phenylvaleronitrile

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CAS Numbers: 10413-00-0 , [10413-00-0]

Other Names:

MFCD00463744

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) 1.69 7.03 -14.71 0 2 0 41 173.215 4 ↓

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