Molecule

ID:37609

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₃O₃
Molecular Mass
145.11668
Exact Mass
145.0487411
Charge
0
InChI
InChI=1S/C4H7N3O3/c1-2(3(8)9)6-7-4(5)10/h1H3,(H,8,9)(H3,5,7,10)/b6-2+
InChIKey
MGIAKYQGSBSNMG-QHHAFSJGSA-N
Canonic Smiles
NC(=O)N/N=C(/C(=O)O)\C
Isomeric Smiles
C(=N\NC(=O)N)(/C(=O)O)\C
Calculated Properties
JChem
Acid pKa
2.9933445
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.313098
LogD (pH = 7.4)
-4.3198485
Log P
-0.8444594
Molar Refractivity
31.5894
Polarizability
11.937032
Polar Surface Area
104.78
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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