UCSF

ZINC00119473

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 Yes

Popular Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid 1-(4-chlorophenyl)cyclopentaneca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 80789-69-1 , [80789-69-1]

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) 3.31 1.2 -50.04 0 2 -1 40 223.679 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 160 - 164 Acros Organics
MP 162 - 164 Enamine Building Blocks
MP 162...164 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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