Molecule

ID:87683

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O₂
Molecular Mass
170.1692
Exact Mass
170.08037558
Charge
0
InChI
InChI=1S/C6H10N4O2/c1-9(7)3-4(10(2)8)6(12)5(3)11/h7-8H2,1-2H3
InChIKey
XXUGJMGVSIRHFO-UHFFFAOYSA-N
Canonic Smiles
CN(C1=C(C(=O)C1=O)N(N)C)N
Isomeric Smiles
N(C1=C(N(N)C)C(=O)C1=O)(C)N
Calculated Properties
JChem
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.0676775
LogD (pH = 7.4)
-1.9964736
Log P
-1.9955232
Molar Refractivity
46.6276
Polarizability
16.166275
Polar Surface Area
92.66
Rotatable Bonds
2
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
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References
Bioactivity
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