Molecule

ID:78268

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀
Molecular Mass
246.4308
Exact Mass
246.23475096
Charge
0
InChI
InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3
InChIKey
GUFMBISUSZUUCB-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C
Isomeric Smiles
CC(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.6084146
LogD (pH = 7.4)
6.6084146
Log P
6.6084146
Molar Refractivity
82.0557
Polarizability
32.304424
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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