Molecule

ID:123303

General Information
Structure
MolImage
Molecular Formula
C₃H₂O₃
Molecular Mass
86.04618
Exact Mass
86.00039392
Charge
0
InChI
InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H
InChIKey
VAYTZRYEBVHVLE-UHFFFAOYSA-N
Canonic Smiles
O=c1occo1
Isomeric Smiles
c1(=O)occo1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.72857934
LogD (pH = 7.4)
0.72857934
Log P
0.72857934
Molar Refractivity
16.445
Polarizability
6.8935695
Polar Surface Area
35.53
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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