UCSF

ZINC34441925

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 19 Yes

Popular Name: (3-Chloro-4-fluorophenyl)[4-fluoro-4-(hydroxymethyl)-1-piperidinyl]methanone (3-Chloro-4-fluorophenyl)[4-fluo…

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CAS Number: 208111-36-8

Other Names:

MFCD11111776

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) 1.80 4.33 -9.34 1 3 0 41 289.709 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6020345; WO1998022459A1; WO2000021953A1 IBM Patent Data

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