UCSF

ZINC21310591

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 12 Yes

Popular Name: N-[(3-chlorophenyl)methyl]acetamide N-[(3-chlorophenyl)methyl]acetamide

Find On: PubMed — Wikipedia — Google

CAS Number: 90942-39-5

Other Names:

MFCD08079696

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) 1.51 4.02 -7.44 1 2 0 29 183.638 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1022272A1 IBM Patent Data

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