Molecule

ID:84851

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11,16H
InChIKey
FGLRWHNZUBAWJK-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)/C=C/C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)/C=C/c1cc(ccc1)O
Calculated Properties
JChem
Acid pKa
9.405767
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5867064
LogD (pH = 7.4)
3.5825205
Log P
3.58676
Molar Refractivity
68.8579
Polarizability
25.955946
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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