UCSF

ZINC49917650

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 21 No

Popular Name: 3-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4(3H)-imine 3-[4-(trifluoromethyl)phenyl]-1,…

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CAS Number: 477865-80-8

Other Names:

MFCD00793652

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) -0.07 7.3 -31.1 2 4 1 56 291.256 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 218 KeyOrganics

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Rings

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

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