UCSF

ZINC15443076

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 22 No

Popular Name: 1-([4-Nitro-3-(trifluoromethyl)phenyl]piperidine)-3-carboxylic acid 1-([4-Nitro-3-(trifluoromethyl)p…

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CAS Number: 942474-46-6

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) 2.84 6.76 -44.81 0 6 -1 89 317.243 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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