Molecule

ID:15452

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c1-2-14-12-7-10-5-3-4-9(10)6-11(12)8-13/h6-8H,2-5H2,1H3
InChIKey
DGWSPLWUFBLCPY-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc2CCCc2cc1C=O
Isomeric Smiles
c1(c(cc2c(c1)CCC2)OCC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8925705
LogD (pH = 7.4)
2.8925705
Log P
2.8925705
Molar Refractivity
56.735
Polarizability
21.219725
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