Molecule

ID:112763

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄
Molecular Mass
110.19676
Exact Mass
110.10955045
Charge
0
InChI
InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3-6H2,1-2H3
InChIKey
TXNWMICHNKMOBR-UHFFFAOYSA-N
Canonic Smiles
CC1=C(C)CCCC1
Isomeric Smiles
CC1=C(C)CCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.792213
LogD (pH = 7.4)
2.792213
Log P
2.792213
Molar Refractivity
37.2866
Polarizability
14.547113
Polar Surface Area
0.0
Rotatable Bonds
0
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