UCSF

ZINC01382815

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 No

Popular Name: ethyl 5-({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylhydrazino}carbonyl)-4,5-dihydro-3-isoxazolecarboxylate ethyl 5-({2-[3-chloro-5-(trifluo…

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CAS Number: 338400-94-5

Other Names:

MFCD01315616

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) 1.98 7.25 -14.41 1 8 0 93 394.737 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 102 - 104 KeyOrganics

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Rings

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

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