UCSF

ZINC00123246

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: 1-(4-chlorophenyl)-2-[(4-methylphenyl)thio]ethan-1-one 1-(4-chlorophenyl)-2-[(4-methylp…

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CAS Number: 99236-17-6

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) 4.64 1.32 -8.21 0 1 0 17 276.788 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 108 - 110 KeyOrganics

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