Molecule

ID:27138

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉N₃O
Molecular Mass
293.36296
Exact Mass
293.15281224
Charge
0
InChI
InChI=1S/C18H19N3O/c1-12-13(2)21(11-14-6-4-3-5-7-14)17-9-8-15(10-16(12)17)18(22)20-19/h3-10H,11,19H2,1-2H3,(H,20,22)
InChIKey
YSSQJNRFRYJBMC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc2c(c1)c(C)c(n2Cc1ccccc1)C
Isomeric Smiles
n1(c(c(c2c1ccc(c2)C(=O)NN)C)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.429395
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2864408
LogD (pH = 7.4)
3.2872934
Log P
3.2873044
Molar Refractivity
90.4072
Polarizability
34.712536
Polar Surface Area
60.05
Rotatable Bonds
3
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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