Molecule

ID:135757

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂O₃
Molecular Mass
134.1047378
Exact Mass
134.04756191
Charge
0
InChI
InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)/i5+1,6+1
InChIKey
YMAWOPBAYDPSLA-MPOCSFTDSA-N
Canonic Smiles
[15NH2]CC(=O)[15NH]CC(=O)O
Isomeric Smiles
C(C(=O)[15NH]CC(=O)O)[15NH2]
Calculated Properties
JChem
Acid pKa
3.5200691
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.518133
LogD (pH = 7.4)
-4.5818744
Log P
-4.5175953
Molar Refractivity
28.8069
Polarizability
11.510928
Polar Surface Area
92.42
Rotatable Bonds
3
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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