UCSF

ZINC01387150

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 No

Popular Name: methyl 6-amino-5-cyano-4-(4-cyanophenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate methyl 6-amino-5-cyano-4-(4-cyan…

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CAS Number: 865660-39-5

Other Names:

MFCD04125335

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) 1.79 4.14 -13.8 2 8 0 135 353.334 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 165 - 167 KeyOrganics

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