Molecule

ID:100718

General Information
Structure
Molecular Formula
C₈H₈ClF
Molecular Mass
158.6005232
Exact Mass
158.02985616
Charge
0
InChI
InChI=1S/C8H8ClF/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
InChIKey
MVJOCJGXPDHQEN-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
Clc1c(cc(cc1C)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7468352
LogD (pH = 7.4)
3.7468352
Log P
3.7468352
Molar Refractivity
41.1616
Polarizability
15.3987
Polar Surface Area
0.0
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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