Molecule

ID:17359

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7-8H,6H2
InChIKey
CYAQTWGCPCRKJT-UHFFFAOYSA-N
Canonic Smiles
C#CCOc1cccc(c1)C=O
Isomeric Smiles
c1(cc(ccc1)C=O)OCC#C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7561599
LogD (pH = 7.4)
1.7561599
Log P
1.7561599
Molar Refractivity
46.6854
Polarizability
17.321896
Polar Surface Area
26.3
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