Molecule

ID:81980

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₄O₂
Molecular Mass
144.13192
Exact Mass
144.06472552
Charge
0
InChI
InChI=1S/C4H8N4O2/c1-2(3(9)10)7-8-4(5)6/h1H3,(H,9,10)(H4,5,6,8)
InChIKey
QSTGHXDDNOESSK-UHFFFAOYSA-N
Canonic Smiles
NC(=N/N=C(/C(=O)O)\C)N
Isomeric Smiles
N(=C(\C(=O)O)/C)/N=C(N)N
Calculated Properties
JChem
Acid pKa
3.3117678
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-2.365581
LogD (pH = 7.4)
-2.4371362
Log P
-2.3662062
Molar Refractivity
33.8907
Polarizability
12.514547
Polar Surface Area
114.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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