Molecule

ID:93352

General Information
Structure
MolImage
Molecular Formula
C₆H₅FO₂
Molecular Mass
128.1011032
Exact Mass
128.02735762
Charge
0
InChI
InChI=1S/C6H5FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKey
NFWGQJUHSAGJBE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)O)O
Isomeric Smiles
Oc1c(cc(cc1)F)O
Calculated Properties
JChem
Acid pKa
8.547195
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5084305
LogD (pH = 7.4)
1.4791446
Log P
1.5088171
Molar Refractivity
30.2362
Polarizability
11.294842
Polar Surface Area
40.46
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
暂无数据
点击上传数据
References
Bioactivity
Navigation