Molecule

ID:10251

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClFNO
Molecular Mass
187.5986832
Exact Mass
187.02001975
Charge
0
InChI
InChI=1S/C8H7ClFNO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
InChIKey
YHJYFDQKFJQLNL-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccccc1F
Isomeric Smiles
N(c1c(F)cccc1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
11.540376
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8910016
LogD (pH = 7.4)
1.890972
Log P
1.8910019
Molar Refractivity
45.8906
Polarizability
16.798939
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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