Molecule

ID:127334

General Information
Structure
MolImage
Molecular Formula
C₄H₆
Molecular Mass
54.09044
Exact Mass
54.04695019
Charge
0
InChI
InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3
InChIKey
KDKYADYSIPSCCQ-UHFFFAOYSA-N
Canonic Smiles
CCC#C
Isomeric Smiles
C#CCC
Calculated Properties
JChem
LogD (pH = 7.4)
1.43
LogD (pH = 5.5)
1.43
Log P
1.43
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
6.84
Molar Refractivity
18.67
LOG S
-1.32
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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