Molecule

ID:77206

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O
Molecular Mass
203.24042
Exact Mass
203.10586205
Charge
0
InChI
InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
InChIKey
RLFWWDJHLFCNIJ-UHFFFAOYSA-N
Canonic Smiles
Nc1c(C)n(n(c1=O)c1ccccc1)C
Isomeric Smiles
n1(c2ccccc2)c(=O)c(c(n1C)C)N
Calculated Properties
JChem
LogD (pH = 7.4)
0.33
LogD (pH = 5.5)
0.33
Log P
0.33
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
0.07
Polar Surface Area
49.57
Polarizability
21.86
Molar Refractivity
60.04
LOG S
-1.33
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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