Molecule

ID:3201

General Information
Structure
Molecular Formula
C₄H₆N₄O₂
Molecular Mass
142.11604
Exact Mass
142.04907545
Charge
0
InChI
InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+
InChIKey
VPVSTMAPERLKKM-XIXRPRMCSA-N
Canonic Smiles
O=C1N[C@@H]2[C@H](N1)NC(=O)N2
Isomeric Smiles
O=C1N[C@H]2NC(=O)N[C@H]2N1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.70
LogD (pH = 5.5)
-1.70
Log P
-1.70
Rotatable Bonds
0
H Donor
4
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
11.69
Polar Surface Area
82.26
Polarizability
11.82
Molar Refractivity
29.44
LOG S
0.08
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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