Molecule

ID:37124

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-3-4-8-5(7)10-6(9-4)11-2/h3H2,1-2H3,(H2,7,8,9,10)
InChIKey
NZQFOCIYDGJNSF-UHFFFAOYSA-N
Canonic Smiles
CCc1nc(OC)nc(n1)N
Isomeric Smiles
c1(nc(nc(n1)OC)N)CC
Calculated Properties
JChem
Acid pKa
15.428576
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.226133
LogD (pH = 7.4)
1.234946
Log P
1.2350595
Molar Refractivity
42.8285
Polarizability
14.977991
Polar Surface Area
73.92
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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