Molecule

ID:111161

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄
Molecular Mass
110.19676
Exact Mass
110.10955045
Charge
0
InChI
InChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4,6H,1,5,7H2,2-3H3
InChIKey
AHWGKLXMXHPYBI-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\C=C)/CCC
Isomeric Smiles
CCC/C(=C/C=C)/C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1531582
LogD (pH = 7.4)
3.1531582
Log P
3.1531582
Molar Refractivity
39.4519
Polarizability
15.07101
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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