Molecule

ID:112646

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₂
Molecular Mass
130.18486
Exact Mass
130.09937969
Charge
0
InChI
InChI=1S/C7H14O2/c1-7(2,3)5-6(8)9-4/h5H2,1-4H3
InChIKey
DXBOTVWRXLQVMG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(C)(C)C
Isomeric Smiles
COC(=O)CC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6547191
LogD (pH = 7.4)
1.6547191
Log P
1.6547191
Molar Refractivity
35.6644
Polarizability
14.389824
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
References
Bioactivity
Navigation