Molecule

ID:135400

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O₂
Molecular Mass
144.21144
Exact Mass
144.11502975
Charge
0
InChI
InChI=1S/C8H16O2/c9-5-7-2-1-3-8(4-7)6-10/h7-10H,1-6H2
InChIKey
LUSFFPXRDZKBMF-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCC(C1)CO
Isomeric Smiles
C(C1CCCC(C1)CO)O
Calculated Properties
JChem
Acid pKa
17.624205
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.52400035
LogD (pH = 7.4)
0.5240004
Log P
0.5240004
Molar Refractivity
40.4066
Polarizability
15.977569
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
References
Bioactivity
Navigation