Molecule

ID:115844

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₂
Molecular Mass
209.245
Exact Mass
209.11642674
Charge
0
InChI
InChI=1S/C10H15N3O2/c1-7-6-9(13-15-7)12-10(14)8-2-4-11-5-3-8/h6,8,11H,2-5H2,1H3,(H,12,13,14)
InChIKey
SSMGRXDFLCKGGP-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCNCC1)Nc1noc(c1)C
Isomeric Smiles
c1(noc(c1)C)NC(=O)C1CCNCC1
Calculated Properties
JChem
Acid pKa
11.249529
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.752822
LogD (pH = 7.4)
-2.1674333
Log P
0.21997061
Molar Refractivity
58.2578
Polarizability
21.162504
Polar Surface Area
67.16
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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