Molecule

ID:70405

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c1-9-7-4-2-6(8)3-5-7/h7H,2-5H2,1H3
InChIKey
XADCKKKOYZJNAR-UHFFFAOYSA-N
Canonic Smiles
COC1CCC(=O)CC1
Isomeric Smiles
C1(=O)CCC(CC1)OC
Calculated Properties
JChem
Acid pKa
18.780617
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.74460226
LogD (pH = 7.4)
0.74460226
Log P
0.74460226
Molar Refractivity
34.6681
Polarizability
13.668409
Polar Surface Area
26.3
Rotatable Bonds
1
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