Molecule

ID:93854

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c1-4-2-3-5(8)6(9-4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
OZSDTKZLTREFCH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(n1)C(=O)O)F
Isomeric Smiles
n1c(c(ccc1C)F)C(=O)O
Calculated Properties
JChem
Acid pKa
0.9554918
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.49004373
LogD (pH = 7.4)
-2.100892
Log P
1.0730788
Molar Refractivity
35.5932
Polarizability
13.345421
Polar Surface Area
50.19
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
暂无数据
点击上传数据
References
Bioactivity
Navigation