UCSF

ZINC02544776

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 Yes

Popular Name: 2-[(4-bromo-3-methylanilino)methyl]-4-chlorobenzenol 2-[(4-bromo-3-methylanilino)meth…

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CAS Numbers: 763133-29-5 , [763133-29-5]

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) 4.97 -2.72 -4.51 2 2 0 32 326.621 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 116 - 117 KeyOrganics

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