Molecule

ID:89890

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/h3H2,1-2H3
InChIKey
NKTDTMONXHODTI-UHFFFAOYSA-N
Canonic Smiles
CCC#CC
Isomeric Smiles
CCC#CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.271276
LogD (pH = 7.4)
2.271276
Log P
2.271276
Molar Refractivity
24.1686
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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