UCSF

ZINC00000135

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: Chlorphenesin Chlorphenesin

Find On: PubMed — Wikipedia — Google

CAS Number: 104-29-0

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) 1.40 -0.02 -8.39 2 3 0 50 202.637 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.04e+01 g/l DrugBank-approved
Melting_Point 78-82? Alfa-Aesar
Melting_Point 78-82° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Fluorochem
PUBCHEM_PATENT_ID EP0000563A1; EP0000665A1; EP0000852A1; EP0000940A2; EP0001796A1; EP0002097A1; EP0004532A1; EP0005141A1; EP0005341A2; EP0005348A1; EP0005600A1; EP0005647A1; EP0005689A1; EP0007051A1; EP0007399A1; EP0007738A1; EP0008367A1; EP0008368A1; EP0008421A2; EP000847 IBM Patent Data
Indications muscle relaxant, antifungal, antibacterial KeyOrganics Bioactives

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