UCSF

ZINC01404383

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 21 Yes

Popular Name: 2-(3,5-dimethylphenoxy)-5-(trifluoromethyl)benzenecarbonitrile 2-(3,5-dimethylphenoxy)-5-(trifl…

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CAS Number: 477867-14-4

Other Names:

MFCD00794069

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) 5.10 10.08 -6.46 0 2 0 33 291.272 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 78 - 79 KeyOrganics

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