Molecule

ID:2769

General Information
Structure
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Molecular Formula
C₃H₆O₃
Molecular Mass
90.07794
Exact Mass
90.03169405
Charge
0
InChI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
InChIKey
JVTAAEKCZFNVCJ-UWTATZPHSA-N
Canonic Smiles
OC(=O)[C@H](O)C
Isomeric Smiles
C[C@@H](O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7849424
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.1885695
LogD (pH = 7.4)
-3.7410624
Log P
-0.4718295
Molar Refractivity
18.8398
Polarizability
7.546188
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.79
LOG S
0.79
Solubility (Water)
5.62e+02 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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