Molecule

ID:60922

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₃O
Molecular Mass
257.33086
Exact Mass
257.15281224
Charge
0
InChI
InChI=1S/C15H19N3O/c1-4-11-6-8-12(9-7-11)17-15-16-10(3)13(5-2)14(19)18-15/h6-9H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKey
FFGXHFFOWHNDNE-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)Nc1nc(C)c(c(=O)[nH]1)CC
Isomeric Smiles
[nH]1c(nc(c(c1=O)CC)C)Nc1ccc(cc1)CC
Calculated Properties
JChem
Acid pKa
11.226024
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3971305
LogD (pH = 7.4)
3.3987186
Log P
3.398797
Molar Refractivity
78.9009
Polarizability
28.923952
Polar Surface Area
53.49
Rotatable Bonds
4
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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