UCSF

ZINC00409092

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

Popular Name: ethyl 4-[(cyclohexylcarbamoyl)amino]benzoate ethyl 4-[(cyclohexylcarbamoyl)am…

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CAS Numbers: , 544438-17-7

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) 3.90 7.08 -14.36 2 5 0 67 290.363 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.690000000000000e+002 - 1.710000000000000e+002 KeyOrganics
melting_point 169 - 171 KeyOrganics
MP 169-171° Matrix Scientific
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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