Molecule

ID:7211

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
JVBLXLBINTYFPR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)O)C
Isomeric Smiles
c1(ccc(c(c1)C(=O)O)C)F
Calculated Properties
JChem
Acid pKa
3.620685
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4115525
LogD (pH = 7.4)
-1.0487568
Log P
2.286952
Molar Refractivity
38.5718
Polarizability
14.155321
Polar Surface Area
37.3
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