Molecule

ID:16446

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₀N₂O
Molecular Mass
316.3963
Exact Mass
316.15756327
Charge
0
InChI
InChI=1S/C21H20N2O/c24-21(16-22-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-14,22H,15-16H2,(H,23,24)
InChIKey
RCFOMKLWZQJHRT-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1c1ccccc1)CNCc1ccccc1
Isomeric Smiles
c1(c(NC(=O)CNCc2ccccc2)cccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
12.912025
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4966637
LogD (pH = 7.4)
3.2252243
Log P
4.091105
Molar Refractivity
98.8041
Polarizability
39.248486
Polar Surface Area
41.13
Rotatable Bonds
6
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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