UCSF

ZINC06319021

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 22 No

Popular Name: Ethyl 1-(2-cyano-4-nitrophenyl)piperidine-3-carboxylate Ethyl 1-(2-cyano-4-nitrophenyl)p…

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CAS Numbers: , 731793-03-6

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) 2.69 2.11 -9 0 7 0 99 303.318 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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