UCSF

ZINC34455137

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 No

Popular Name: (1S)-4-chloro-1-phenyl-butan-1-ol (1S)-4-chloro-1-phenyl-butan-1-ol

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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) 2.27 5 -4.29 1 1 0 20 184.666 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0226641A1; EP0885891A1; US4713381; US6005116 IBM Patent Data

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