Molecule

ID:83539

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆O₂
Molecular Mass
132.20074
Exact Mass
132.11502975
Charge
0
InChI
InChI=1S/C7H16O2/c1-6(2,5-8)7(3,4)9/h8-9H,5H2,1-4H3
InChIKey
FWRDQCHWQGNXNZ-UHFFFAOYSA-N
Canonic Smiles
OCC(C(O)(C)C)(C)C
Isomeric Smiles
OC(C)(C(C)(CO)C)C
Calculated Properties
JChem
Acid pKa
14.572714
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5201075
LogD (pH = 7.4)
0.52010745
Log P
0.5201075
Molar Refractivity
37.2353
Polarizability
14.86285
Polar Surface Area
40.46
Rotatable Bonds
2
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