Molecule

ID:25117

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃O
Molecular Mass
141.17104
Exact Mass
141.09021199
Charge
0
InChI
InChI=1S/C6H11N3O/c1-3-5-8-9-6(10-5)4-7-2/h7H,3-4H2,1-2H3
InChIKey
SSJSEXJMZZHGLB-UHFFFAOYSA-N
Canonic Smiles
CNCc1nnc(o1)CC
Isomeric Smiles
n1nc(oc1CNC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.213385
LogD (pH = 7.4)
-0.77441835
Log P
-0.5901986
Molar Refractivity
38.6262
Polarizability
14.278583
Polar Surface Area
50.95
Rotatable Bonds
3
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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