Molecule

ID:16361

General Information
Structure
MolImage
Molecular Formula
C₅H₆
Molecular Mass
66.10114
Exact Mass
66.04695019
Charge
0
InChI
InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2
InChIKey
NPTDXPDGUHAFKC-UHFFFAOYSA-N
Canonic Smiles
C#CC1CC1
Isomeric Smiles
C(#C)C1CC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.258139
LogD (pH = 7.4)
1.258139
Log P
1.258139
Molar Refractivity
21.4142
Polarizability
8.126301
Polar Surface Area
0.0
Rotatable Bonds
0
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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