Molecule

ID:87502

General Information
Structure
MolImage
Molecular Formula
C₃H₂O₂
Molecular Mass
70.04678
Exact Mass
70.0054793
Charge
0
InChI
InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
InChIKey
UORVCLMRJXCDCP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C#C
Isomeric Smiles
OC(=O)C#C
Calculated Properties
JChem
LogD (pH = 7.4)
-3.34
LogD (pH = 5.5)
-3.04
Log P
0.18
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
1.99
Polar Surface Area
37.30
Polarizability
5.80
Molar Refractivity
15.78
LOG S
-0.33
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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