Molecule

ID:97189

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO
Molecular Mass
152.1655632
Exact Mass
152.06374313
Charge
0
InChI
InChI=1S/C9H9FO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3
InChIKey
BANVZEUCJHUPOI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cc1ccccc1F
Isomeric Smiles
Fc1ccccc1CC(=O)C
Calculated Properties
JChem
Acid pKa
14.00753
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0833216
LogD (pH = 7.4)
2.0833216
Log P
2.0833216
Molar Refractivity
41.1331
Polarizability
15.583215
Polar Surface Area
17.07
Rotatable Bonds
2
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