UCSF

ZINC01707965

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Substance Information

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

Popular Name: 4'-Chlorovalerophenone 4'-Chlorovalerophenone

Find On: PubMed — Wikipedia — Google

CAS Number: 25017-08-7

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) 4.08 1.84 -5.63 0 1 0 17 196.677 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 156 / 14 TCI
Melting_Point 29-33? Alfa-Aesar
Melting_Point 29-33° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0270093A2 IBM Patent Data

Activity (Go SEA)

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