Molecule

ID:9998

General Information
Structure
MolImage
Molecular Formula
C₄H₄O
Molecular Mass
68.07396
Exact Mass
68.02621475
Charge
0
InChI
InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3
InChIKey
XRGPFNGLRSIPSA-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C#C
Isomeric Smiles
C#CC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.51
LogD (pH = 5.5)
0.51
Log P
0.51
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
18.67
Polar Surface Area
17.07
Polarizability
6.89
Molar Refractivity
19.34
LOG S
-0.58
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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