Molecule

ID:112501

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆
Molecular Mass
112.21264
Exact Mass
112.12520051
Charge
0
InChI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3
InChIKey
YCTDZYMMFQCTEO-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/CC
Isomeric Smiles
CCCC/C=C/CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6583536
LogD (pH = 7.4)
3.6583536
Log P
3.6583536
Molar Refractivity
39.7268
Polarizability
15.295921
Polar Surface Area
0.0
Rotatable Bonds
4
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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