Molecule

ID:34338

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₂
Molecular Mass
116.15828
Exact Mass
116.08372962
Charge
0
InChI
InChI=1S/C6H12O2/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2
InChIKey
YSNVSVCWTBLLRW-UHFFFAOYSA-N
Canonic Smiles
OCC1CCOCC1
Isomeric Smiles
C1COCCC1CO
Calculated Properties
JChem
Acid pKa
15.463619
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.096790224
LogD (pH = 7.4)
-0.096790224
Log P
-0.096790224
Molar Refractivity
31.5548
Polarizability
12.376324
Polar Surface Area
29.46
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