Molecule

ID:63609

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2
InChIKey
NPBDXRSQLIOUGJ-UHFFFAOYSA-N
Canonic Smiles
OCC1CC(=O)C1
Isomeric Smiles
C1(CC(=O)C1)CO
Calculated Properties
JChem
Acid pKa
15.43369
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.47264886
LogD (pH = 7.4)
-0.47264886
Log P
-0.47264886
Molar Refractivity
25.4457
Polarizability
9.936498
Polar Surface Area
37.3
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