Molecule

ID:97253

General Information
Structure
MolImage
Molecular Formula
C₈H₇F
Molecular Mass
122.1395832
Exact Mass
122.05317844
Charge
0
InChI
InChI=1S/C8H7F/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKey
YNQXOOPPJWSXMW-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccccc1F
Isomeric Smiles
Fc1c(cccc1)C=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.85265
LogD (pH = 7.4)
2.85265
Log P
2.85265
Molar Refractivity
35.9607
Polarizability
13.492242
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation