UCSF

ZINC01397991

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 23 No

Popular Name: ethyl 4-(4-chlorophenyl)-1-(cyanomethyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate ethyl 4-(4-chlorophenyl)-1-(cyan…

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CAS Number: 339015-76-8

Other Names:

MFCD00664332

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) 3.51 4.25 -13.4 0 5 0 70 332.787 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 108 - 110 KeyOrganics

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