UCSF

ZINC03848617

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 21 No

Popular Name: 2-(4-methyl-3-nitro-benzoyl)benzoic 2-(4-methyl-3-nitro-benzoyl)benzoic

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CAS Number: 15247-71-9

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) 3.25 2.07 -54.14 0 6 -1 103 284.247 4 ↓

Vendor Notes

Note Type Comments Provided By
mp 204 - 205 MolMall (formerly Molecular Diversity Preservation International)

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