UCSF

ZINC13597181

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 18 Yes

Popular Name: 2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one 2-(3,4-dichlorophenyl)-4-(2-hydr…

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CAS Number: 861210-29-9

Other Names:

MFCD03848420

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) 2.30 4 -13.36 2 4 0 58 287.146 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 163 - 166 KeyOrganics

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