Molecule

ID:87381

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₂
Molecular Mass
190.23836
Exact Mass
190.09937969
Charge
0
InChI
InChI=1S/C12H14O2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKey
IEIVCCVSMYLGOC-UHFFFAOYSA-N
Canonic Smiles
O=CC1(CCOCC1)c1ccccc1
Isomeric Smiles
O1CCC(c2ccccc2)(CC1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.728862
LogD (pH = 7.4)
1.728862
Log P
1.728862
Molar Refractivity
55.065
Polarizability
21.409447
Polar Surface Area
26.3
Rotatable Bonds
2
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