Molecule

ID:91648

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h3-6,8,11H,7H2
InChIKey
OVQZFRWRLDQPPW-UHFFFAOYSA-N
Canonic Smiles
OCC#Cc1ccc(cc1)C=O
Isomeric Smiles
OCC#Cc1ccc(cc1)C=O
Calculated Properties
JChem
Acid pKa
14.109267
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3922424
LogD (pH = 7.4)
1.3922423
Log P
1.3922424
Molar Refractivity
45.0898
Polarizability
17.255056
Polar Surface Area
37.3
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