Molecule

ID:50113

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-3-4-10-7-9(8-12)5-6-11(10)13-2/h5-8H,3-4H2,1-2H3
InChIKey
HNBBUYGDNRWFOE-UHFFFAOYSA-N
Canonic Smiles
CCCc1cc(C=O)ccc1OC
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9306357
LogD (pH = 7.4)
2.9306357
Log P
2.9306357
Molar Refractivity
53.3484
Polarizability
20.185308
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