Molecule

ID:14422

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉N₃O
Molecular Mass
293.36296
Exact Mass
293.15281224
Charge
0
InChI
InChI=1S/C18H19N3O/c19-16(18(22)21-11-13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,20H,10-11,19H2,(H,21,22)
InChIKey
LTLVOJXXQDFIPW-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)NCc1ccccc1)Cc1c[nH]c2c1cccc2
Isomeric Smiles
c12c(CC(C(=O)NCc3ccccc3)N)c[nH]c1cccc2
Calculated Properties
JChem
Acid pKa
15.510297
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.040006086
LogD (pH = 7.4)
1.6544389
Log P
2.3175836
Molar Refractivity
87.5343
Polarizability
35.28674
Polar Surface Area
70.91
Rotatable Bonds
5
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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