Molecule

ID:99062

General Information
Structure
MolImage
Molecular Formula
C₉H₅FO₃
Molecular Mass
180.1326032
Exact Mass
180.02227224
Charge
0
InChI
InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKey
JCOYNGQUPPGRNB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(O)cc(=O)o2
Isomeric Smiles
o1c(=O)cc(c2c1ccc(c2)F)O
Calculated Properties
JChem
Acid pKa
5.1901813
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6908251
LogD (pH = 7.4)
-0.94652605
Log P
1.1725147
Molar Refractivity
43.6573
Polarizability
16.079062
Polar Surface Area
46.53
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