Molecule

ID:135713

General Information
Structure
MolImage
Molecular Formula
C₃H₄O₃
Molecular Mass
89.05471484
Exact Mass
89.01939883
Charge
0
InChI
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/i2+1
InChIKey
LCTONWCANYUPML-VQEHIDDOSA-N
Canonic Smiles
OC(=O)[13C](=O)C
Isomeric Smiles
C[13C](=O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9301233
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4600048
LogD (pH = 7.4)
-3.4164543
Log P
0.06587395
Molar Refractivity
17.9897
Polarizability
7.0247083
Polar Surface Area
54.37
Rotatable Bonds
1
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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