Molecule

ID:6704

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClFNO
Molecular Mass
187.5986832
Exact Mass
187.02001975
Charge
0
InChI
InChI=1S/C8H7ClFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
InChIKey
ZULZFLOGABTQFR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1Cl)F
Isomeric Smiles
Fc1ccc(c(c1)Cl)NC(=O)C
Calculated Properties
JChem
Acid pKa
13.020914
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9577028
LogD (pH = 7.4)
1.9577018
Log P
1.9577028
Molar Refractivity
45.9422
Polarizability
16.856173
Polar Surface Area
29.1
Rotatable Bonds
1
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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