Molecule

ID:85680

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c1-3-9-6(8)7(2)4-5-7/h3-5H2,1-2H3
InChIKey
IZPYNZLFBUQGCZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(C)CC1
Isomeric Smiles
O=C(C1(CC1)C)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6151668
LogD (pH = 7.4)
1.6151668
Log P
1.6151668
Molar Refractivity
34.0616
Polarizability
13.668409
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