Molecule

ID:97038

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClFO
Molecular Mass
174.5999232
Exact Mass
174.02477078
Charge
0
InChI
InChI=1S/C8H8ClFO/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3
InChIKey
KVOKEUYGMDGQSP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)F)CCl
Isomeric Smiles
ClCc1c(cc(cc1)OC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5455186
LogD (pH = 7.4)
2.5455186
Log P
2.5455186
Molar Refractivity
42.6045
Polarizability
16.226486
Polar Surface Area
9.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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