Molecule
ID:72175
General Information
Molecular Formula
C₃H₉N₃O₃
Molecular Mass
135.12186
Exact Mass
135.06439116
Charge
0
InChI
InChI=1S/C2H4O2.CH5N3O/c1-2(3)4;2-1(3)4-5/h1H3,(H,3,4);5H,(H4,2,3,4)
InChIKey
IYDIGKJHQKUYRZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)O.ON=C(N)N
Isomeric Smiles
C(=NO)(N)N.O=C(O)C
Calculated Properties
JChem
Acid pKa
13.552521
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.195983
LogD (pH = 7.4)
-1.6722205
Log P
-1.2400208
Molar Refractivity
17.2085
Polarizability
6.38401
Polar Surface Area
84.63
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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