UCSF

ZINC00156231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: (4-Chloro-3-trifluoromethyl-phenyl)-thiourea (4-Chloro-3-trifluoromethyl-phen…

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CAS Numbers: 207919-03-7 , [207919-03-7]

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) 2.48 -0.95 -15.88 3 2 0 38 254.664 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 139-141° Matrix Scientific
Melting_Point 142-146? Alfa-Aesar
Melting_Point 142-146° Alfa-Aesar
melting_point 147 - 149 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.