Molecule

ID:99835

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClF
Molecular Mass
158.6005232
Exact Mass
158.02985616
Charge
0
InChI
InChI=1S/C8H8ClF/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,5H2,1H3
InChIKey
MTKSHHODKOMICW-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(F)ccc1C
Isomeric Smiles
ClCc1c(ccc(c1)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2166111
LogD (pH = 7.4)
3.2166111
Log P
3.2166111
Molar Refractivity
41.1825
Polarizability
15.428447
Polar Surface Area
0.0
Rotatable Bonds
1
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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