Molecule

ID:97907

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClF₂
Molecular Mass
190.6175664
Exact Mass
190.03608441
Charge
0
InChI
InChI=1S/C9H9ClF2/c1-6-5-7(9(2,11)12)3-4-8(6)10/h3-5H,1-2H3
InChIKey
ZZLKQNJJZYQKAF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1C)C(F)(F)C
Isomeric Smiles
Clc1ccc(cc1C)C(C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7278626
LogD (pH = 7.4)
3.7278626
Log P
3.7278626
Molar Refractivity
46.0098
Polarizability
17.118288
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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