Molecule

ID:82241

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂O₃
Molecular Mass
130.10204
Exact Mass
130.03784206
Charge
0
InChI
InChI=1S/C4H6N2O3/c7-3(8)2-1-5-4(9)6-2/h2H,1H2,(H,7,8)(H2,5,6,9)
InChIKey
KZKRPYCBSZIQKN-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC(N1)C(=O)O
Isomeric Smiles
N1C(=O)NCC1C(=O)O
Calculated Properties
JChem
Acid pKa
3.4822712
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.4067798
LogD (pH = 7.4)
-4.778672
Log P
-1.3980671
Molar Refractivity
26.7969
Polarizability
10.483677
Polar Surface Area
78.43
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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