Molecule

ID:121868

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₄O₃
Molecular Mass
188.18448
Exact Mass
188.09094026
Charge
0
InChI
InChI=1S/C6H10N4O2.H2O/c1-9-4(8)3(7)5(11)10(2)6(9)12;/h7-8H2,1-2H3;1H2
InChIKey
FNLDCZCNGSQKIC-UHFFFAOYSA-N
Canonic Smiles
Nc1n(C)c(=O)n(c(=O)c1N)C.O
Isomeric Smiles
n1(c(=O)n(c(=O)c(c1N)N)C)C.O
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.7935634
LogD (pH = 7.4)
-1.7931488
Log P
-1.7931435
Molar Refractivity
52.3236
Polarizability
15.628333
Polar Surface Area
92.66
Rotatable Bonds
0
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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