Molecule

ID:1870

General Information
Structure
MolImage
Molecular Formula
C₃H₅NO₄
Molecular Mass
119.0761
Exact Mass
119.02185765
Charge
0
InChI
InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)
InChIKey
URJHVPKUWOUENU-UHFFFAOYSA-N
Canonic Smiles
O=CN(CC(=O)O)O
Isomeric Smiles
ON(CC(=O)O)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.88
LogD (pH = 5.5)
-3.59
Log P
-1.38
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.28
Polar Surface Area
77.84
Polarizability
9.42
Molar Refractivity
22.72
LOG S
0.73
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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