UCSF

ZINC20385685

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 28 No

Popular Name: 2-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-4-nitro-1H-isoindole-1,3(2H)-dione 2-(2-{[3-chloro-5-(trifluorometh…

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CAS Number: 339278-10-3

Other Names:

MFCD01568662

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) 3.21 9.22 -16.28 1 8 0 110 414.727 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 147 - 149 KeyOrganics

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