Molecule

ID:18576

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃O
Molecular Mass
205.2563
Exact Mass
205.12151212
Charge
0
InChI
InChI=1S/C11H15N3O/c1-12-7-8-4-5-9-10(6-8)14(3)11(15)13(9)2/h4-6,12H,7H2,1-3H3
InChIKey
RWUGXGZIXONRCB-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc2c(c1)n(C)c(=O)n2C
Isomeric Smiles
c1(=O)n(c2c(n1C)ccc(c2)CNC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3671064
LogD (pH = 7.4)
-1.2134423
Log P
0.79375696
Molar Refractivity
59.4746
Polarizability
22.64398
Polar Surface Area
35.58
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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