Molecule

ID:3702

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄
Molecular Mass
134.21816
Exact Mass
134.10955045
Charge
0
InChI
InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
KXUHSQYYJYAXGZ-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccccc1)C
Isomeric Smiles
CC(C)Cc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.66
LogD (pH = 5.5)
3.66
Log P
3.66
Rotatable Bonds
2
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
16.74
Molar Refractivity
44.85
LOG S
-3.37
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
Navigation