Molecule

ID:126619

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
InChIKey
NEHNMFOYXAPHSD-UHFFFAOYSA-N
Canonic Smiles
O=CCC(CCC=C(C)C)C
Isomeric Smiles
O=CCC(CCC=C(C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.71
LogD (pH = 5.5)
2.71
Log P
2.71
Rotatable Bonds
5
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
18.18
Polar Surface Area
17.07
Polarizability
19.39
Molar Refractivity
49.30
LOG S
-2.52
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