Molecule

ID:68626

General Information
Structure
MolImage
Molecular Formula
C₆H₅FN₂O₂
Molecular Mass
156.1145032
Exact Mass
156.03350563
Charge
0
InChI
InChI=1S/C6H5FN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2
InChIKey
BHWHYGWMNMCXBA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1N)F
Isomeric Smiles
Nc1c(cccc1[N+](=O)[O-])F
Calculated Properties
JChem
Acid pKa
12.44906
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8770059
LogD (pH = 7.4)
1.8770024
Log P
1.8770059
Molar Refractivity
37.2953
Polarizability
13.165851
Polar Surface Area
69.16
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