Molecule

ID:112542

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆
Molecular Mass
112.21264
Exact Mass
112.12520051
Charge
0
InChI
InChI=1S/C8H16/c1-4-7-8(5-2)6-3/h4,7-8H,5-6H2,1-3H3
InChIKey
STHONQMAWQLWLX-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C(CC)CC
Isomeric Smiles
CCC(CC)/C=C/C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.500804
LogD (pH = 7.4)
3.500804
Log P
3.500804
Molar Refractivity
39.6744
Polarizability
15.295921
Polar Surface Area
0.0
Rotatable Bonds
3
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