UCSF

ZINC02513061

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: 2-[4-(Trifluoromethyl)phenyl]morpholine oxalate 2-[4-(Trifluoromethyl)phenyl]mor…

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CAS Numbers: 1198416-91-9 , 62243-72-5

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) 2.07 4.88 -48.04 2 2 1 26 232.225 2 ↓
Hi High (pH 8-9.5) 2.07 3.47 -3.8 1 2 0 21 231.217 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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