UCSF

ZINC20282049

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 Yes

Popular Name: N-Methyl-4-(trifluoromethoxy)benzylamine N-Methyl-4-(trifluoromethoxy)ben…

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CAS Number: 906645-42-9

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) 2.47 4.18 -43.76 2 2 1 26 206.187 4 ↓
Hi High (pH 8-9.5) 2.47 2.69 -2.43 1 2 0 21 205.179 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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