Molecule

ID:96332

General Information
Structure
MolImage
Molecular Formula
C₉H₈FNO₂
Molecular Mass
181.1637232
Exact Mass
181.05390672
Charge
0
InChI
InChI=1S/C9H8FNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3
InChIKey
VOAXWARMFBBINZ-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\c1ccc(cc1)F)/[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(/C(=C/c1ccc(cc1)F)/C)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3423893
LogD (pH = 7.4)
2.3423893
Log P
2.3423893
Molar Refractivity
48.0838
Polarizability
17.290104
Polar Surface Area
45.82
Rotatable Bonds
2
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