Molecule

ID:127093

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄O
Molecular Mass
208.33976
Exact Mass
208.18271539
Charge
0
InChI
InChI=1S/C14H24O/c1-4-5-6-8-11-14(2,3)13-10-7-9-12-15-13/h7,9-10,12-13H,4-6,8,11H2,1-3H3
InChIKey
SVIHKRFJCWVRKB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(C1OC=CC=C1)(C)C
Isomeric Smiles
CC(C)(CCCCCC)C1C=CC=CO1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.685795
LogD (pH = 7.4)
4.685795
Log P
4.685795
Molar Refractivity
67.0277
Polarizability
26.03588
Polar Surface Area
9.23
Rotatable Bonds
6
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