Molecule

ID:54722

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₂
Molecular Mass
193.1744232
Exact Mass
193.05390672
Charge
0
InChI
InChI=1S/C10H8FNO2/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9H,1H3
InChIKey
VOQAUBMZINIKIQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)C(C#N)F
Isomeric Smiles
C(=O)(C(C#N)F)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
14.123737
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4993327
LogD (pH = 7.4)
1.4993327
Log P
1.4993327
Molar Refractivity
47.8935
Polarizability
18.028704
Polar Surface Area
50.09
Rotatable Bonds
3
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