Molecule

ID:112869

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆
Molecular Mass
112.21264
Exact Mass
112.12520051
Charge
0
InChI
InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h8H,1,5-6H2,2-4H3
InChIKey
ISZWTVCVSJVEOL-UHFFFAOYSA-N
Canonic Smiles
CC(CCC(=C)C)C
Isomeric Smiles
CC(C)CCC(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3575304
LogD (pH = 7.4)
3.3575304
Log P
3.3575304
Molar Refractivity
38.2829
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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