Molecule

ID:99697

General Information
Structure
Molecular Formula
C₈H₈FNO
Molecular Mass
153.1536232
Exact Mass
153.0589921
Charge
0
InChI
InChI=1S/C8H8FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
InChIKey
HLYXSMQJWZMANE-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)c1ccc(cc1)F
Isomeric Smiles
NCC(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
18.322128
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0416417
LogD (pH = 7.4)
0.49159598
Log P
0.7494654
Molar Refractivity
40.0369
Polarizability
15.260062
Polar Surface Area
43.09
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