UCSF

ZINC01807582

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 20 No

Popular Name: Diethyl 2-(((4-bromophenyl)amino)methylene)malonate Diethyl 2-(((4-bromophenyl)amino…

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CAS Numbers: 101937-44-4 , [101937-44-4] , [101937-67-1]

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) 3.20 2.71 -7.09 1 5 0 64 342.189 8 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 103 - 105 KeyOrganics

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