UCSF

ZINC09485115

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 22 Yes

Popular Name: Methyl trans-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxylate Methyl trans-4-[(4-oxo-1,2,3-ben…

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CAS Numbers: , 1212186-62-3

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) 2.46 7.07 -10.92 0 6 0 74 301.346 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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