Molecule
ID:29990
General Information
Molecular Formula
C₆H₄FNO₂
Molecular Mass
141.0998632
Exact Mass
141.02260659
Charge
0
InChI
InChI=1S/C6H4FNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)
InChIKey
IRERRSXDWUCFIY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ncccc1F
Isomeric Smiles
c1(c(cccn1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
4.160582
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.60606956
LogD (pH = 7.4)
-2.2359033
Log P
0.94170856
Molar Refractivity
31.0017
Polarizability
11.611865
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...