Molecule

ID:10412

General Information
Structure
MolImage
Molecular Formula
C₉H₇FO
Molecular Mass
150.1496832
Exact Mass
150.04809306
Charge
0
InChI
InChI=1S/C9H7FO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChIKey
LVUUCFIQQHEFEJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C(=O)CC2
Isomeric Smiles
c1(ccc2c(c1)C(=O)CC2)F
Calculated Properties
JChem
Acid pKa
16.002378
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.979258
LogD (pH = 7.4)
1.979258
Log P
1.979258
Molar Refractivity
39.9421
Polarizability
14.845692
Polar Surface Area
17.07
Rotatable Bonds
0
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