Molecule

ID:89881

General Information
Structure
MolImage
Molecular Formula
C₅H₈
Molecular Mass
68.11702
Exact Mass
68.06260026
Charge
0
InChI
InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3
InChIKey
IBXNCJKFFQIKKY-UHFFFAOYSA-N
Canonic Smiles
CCCC#C
Isomeric Smiles
CCCC#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.8794144
LogD (pH = 7.4)
1.8794144
Log P
1.8794144
Molar Refractivity
23.2688
Polarizability
8.870779
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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