Molecule

ID:95606

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO
Molecular Mass
189.1857232
Exact Mass
189.0589921
Charge
0
InChI
InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11(14)8-5-6-13-7-8/h1-7,13H
InChIKey
PNCPLSQYXAEWCK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C(=O)c1cc[nH]c1
Isomeric Smiles
[nH]1cc(C(=O)c2c(cccc2)F)cc1
Calculated Properties
JChem
Acid pKa
14.594095
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.655185
LogD (pH = 7.4)
2.655185
Log P
2.655185
Molar Refractivity
51.6087
Polarizability
19.347292
Polar Surface Area
32.86
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