Molecule

ID:126939

General Information
Structure
MolImage
Molecular Formula
C₄H₂
Molecular Mass
50.05868
Exact Mass
50.01565006
Charge
0
InChI
InChI=1S/C4H2/c1-3-4-2/h1-2H
InChIKey
LLCSWKVOHICRDD-UHFFFAOYSA-N
Canonic Smiles
C#CC#C
Isomeric Smiles
C#CC#C
Calculated Properties
JChem
LogD (pH = 7.4)
0.63
LogD (pH = 5.5)
0.63
Log P
0.63
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
5.34
Molar Refractivity
17.13
LOG S
-1.03
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation