Molecule

ID:52435

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₂
Molecular Mass
200.23318
Exact Mass
200.08372962
Charge
0
InChI
InChI=1S/C13H12O2/c1-2-15-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKey
XCTLDQQOHIEUCJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc2c1cccc2
Isomeric Smiles
c1(cccc2ccccc12)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3230076
LogD (pH = 7.4)
3.3230076
Log P
3.3230076
Molar Refractivity
59.2821
Polarizability
24.146612
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