UCSF

ZINC01384627

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2005 22 No

Popular Name: N-{2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitrovinyl}aniline N-{2-[4-methyl-5-(trifluoromethy…

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CAS Number: 338402-50-9

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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) 1.71 7.4 -16.86 1 7 0 89 313.239 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 191 - 193 KeyOrganics

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Rings

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

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