UCSF

ZINC01641141

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 4-acetyl-4-methylheptanedinitrile 4-acetyl-4-methylheptanedinitrile

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CAS Number: 1681-17-0

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) -0.07 5.94 -13.62 0 3 0 65 178.235 5 ↓

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