UCSF

ZINC00084669

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: [5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile [5-(trifluoromethyl)-1,3-benzoth…

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CAS Number: 112146-11-9

Other Names:

MFCD02073523

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) 2.94 2.79 -11.21 0 2 0 37 242.225 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 95 - 97 Enamine Building Blocks
MP 95...97 Enamine Building Blocks

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