Molecule

ID:2413

General Information
Structure
MolImage
Molecular Formula
C₃H₅NO₂
Molecular Mass
87.0773
Exact Mass
87.03202841
Charge
0
InChI
InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
InChIKey
UQBOJOOOTLPNST-UHFFFAOYSA-N
Canonic Smiles
NC(=C)C(=O)O
Isomeric Smiles
NC(=C)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.83
LogD (pH = 5.5)
-2.81
Log P
-2.81
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.89
Polar Surface Area
63.32
Polarizability
7.72
Molar Refractivity
20.92
LOG S
0.17
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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