UCSF

ZINC03864754

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 22 No

Popular Name: 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid 1-[2-Nitro-4-(trifluoromethyl)ph…

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CAS Number: 325702-09-8

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 2.96 -48.74 0 6 -1 89 317.243 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.