UCSF

ZINC16162172

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 22 Yes

Popular Name: 3-(4-Chlorophenyl)-5-ethyl-1-methyl-1H-indole-2-carboxylic acid 3-(4-Chlorophenyl)-5-ethyl-1-met…

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CAS Numbers: , 940995-13-1

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) 5.33 11.22 -47.95 0 3 -1 45 312.776 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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