Molecule

ID:8526

General Information
Structure
Molecular Formula
C₁₂H₉F
Molecular Mass
172.1982632
Exact Mass
172.06882851
Charge
0
InChI
InChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
KLECYOQFQXJYBC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1ccccc1
Isomeric Smiles
Fc1c(c2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.763173
LogD (pH = 7.4)
3.763173
Log P
3.763173
Molar Refractivity
51.4106
Polarizability
20.994003
Polar Surface Area
0.0
Rotatable Bonds
1
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
References
Bioactivity
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