Molecule

ID:19351

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₂
Molecular Mass
116.15828
Exact Mass
116.08372962
Charge
0
InChI
InChI=1S/C6H12O2/c7-4-6-2-1-3-8-5-6/h6-7H,1-5H2
InChIKey
VFTQJKSRDCKVQA-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCOC1
Isomeric Smiles
O1CC(CO)CCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.0552335
Log P
-0.055233497
Molar Refractivity
31.456
Polarizability
12.376324
Polar Surface Area
29.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
15.398803
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.055233497
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