UCSF

ZINC01670343

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: 4-Allyloxy-3,5-dimethylbenzonitrile; BRN 2693428; Benzonitrile, 4-(allyloxy)-3,5-dimethyl-; LS-38618 4-Allyloxy-3,5-dimethylbenzonitr…

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Other Names:

MFCD01662132

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) 3.15 3.94 -4.57 0 2 0 33 187.242 3 ↓

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