Molecule

ID:9612

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClF
Molecular Mass
158.6005232
Exact Mass
158.02985616
Charge
0
InChI
InChI=1S/C8H8ClF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKey
LPUURRVXQCVXCX-UHFFFAOYSA-N
Canonic Smiles
ClCCc1ccc(cc1)F
Isomeric Smiles
c1(CCCl)ccc(F)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.991851
LogD (pH = 7.4)
2.991851
Log P
2.991851
Molar Refractivity
40.8963
Polarizability
15.429857
Polar Surface Area
0.0
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
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Molecule Details
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References
Bioactivity
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