Molecule

ID:11292

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O
Molecular Mass
292.3749
Exact Mass
292.15756327
Charge
0
InChI
InChI=1S/C19H20N2O/c1-13-8-9-16-10-17(19(22)21-18(16)14(13)2)12-20-11-15-6-4-3-5-7-15/h3-10,20H,11-12H2,1-2H3,(H,21,22)
InChIKey
SORBLGGVFVHXQQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1C)[nH]c(=O)c(c2)CNCc1ccccc1
Isomeric Smiles
[nH]1c(=O)c(cc2c1c(c(cc2)C)C)CNCc1ccccc1
Calculated Properties
JChem
Acid pKa
13.704156
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0488071
LogD (pH = 7.4)
2.7468114
Log P
3.7889361
Molar Refractivity
92.5381
Polarizability
34.51811
Polar Surface Area
41.13
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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