Molecule

ID:82834

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃O₂
Molecular Mass
269.2985
Exact Mass
269.11642674
Charge
0
InChI
InChI=1S/C15H15N3O2/c1-11(2)17-10-13(8-16)14(19)18(15(17)20)9-12-6-4-3-5-7-12/h3-7,10-11H,9H2,1-2H3
InChIKey
CGYSBPLTCJYBOI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cn(C(C)C)c(=O)n(c1=O)Cc1ccccc1
Isomeric Smiles
n1(c(=O)n(C(C)C)cc(c1=O)C#N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9017758
LogD (pH = 7.4)
1.9017758
Log P
1.9017758
Molar Refractivity
74.5963
Polarizability
28.198296
Polar Surface Area
64.41
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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