Molecule

ID:11293

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O₂
Molecular Mass
282.33702
Exact Mass
282.13682783
Charge
0
InChI
InChI=1S/C17H18N2O2/c1-11-5-6-13-8-14(17(20)19-16(13)12(11)2)9-18-10-15-4-3-7-21-15/h3-8,18H,9-10H2,1-2H3,(H,19,20)
InChIKey
HOOLMZZMZATFNM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1C)[nH]c(=O)c(c2)CNCc1ccco1
Isomeric Smiles
[nH]1c(=O)c(cc2c1c(c(cc2)C)C)CNCc1ccco1
Calculated Properties
JChem
Acid pKa
13.70414
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1585804
LogD (pH = 7.4)
2.6391943
Log P
2.8491828
Molar Refractivity
84.929
Polarizability
31.343803
Polar Surface Area
54.27
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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