Molecule

ID:25901

General Information
Structure
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-7,9H,8H2,1-2H3
InChIKey
KYAHWUCUKPTNKW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCC(C)C
Isomeric Smiles
O=Cc1cc(OCC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.77238
LogD (pH = 7.4)
2.77238
Log P
2.77238
Molar Refractivity
52.8494
Polarizability
20.263664
Polar Surface Area
26.3
Rotatable Bonds
4
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