Molecule

ID:94519

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClF
Molecular Mass
144.5739432
Exact Mass
144.01420609
Charge
0
InChI
InChI=1S/C7H6ClF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
InChIKey
LHPJOUKIBAEPMW-UHFFFAOYSA-N
Canonic Smiles
Fc1c(C)cccc1Cl
Isomeric Smiles
Fc1c(cccc1Cl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.233414
LogD (pH = 7.4)
3.233414
Log P
3.233414
Molar Refractivity
36.1204
Polarizability
13.675859
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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