Molecule

ID:91751

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₃
Molecular Mass
216.23258
Exact Mass
216.07864424
Charge
0
InChI
InChI=1S/C13H12O3/c1-9-6-7-12(16-9)10-4-3-5-11(8-10)13(14)15-2/h3-8H,1-2H3
InChIKey
MZQAKZUVEOUJLA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)c1ccc(o1)C
Isomeric Smiles
o1c(ccc1C)c1cc(ccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8837562
LogD (pH = 7.4)
2.8837562
Log P
2.8837562
Molar Refractivity
60.7601
Polarizability
24.329615
Polar Surface Area
39.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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