UCSF

ZINC00087840

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: 2-nitro-4-(trifluoromethyl)phenyl phenyl sulfide 2-nitro-4-(trifluoromethyl)pheny…

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CAS Number: 346-44-1

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) 4.69 3.74 -7.93 0 3 0 45 299.273 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 68 - 69 KeyOrganics

Activity (Go SEA)

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