Molecule

ID:22990

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₈N₂O₂
Molecular Mass
340.45922
Exact Mass
340.21507815
Charge
0
InChI
InChI=1S/C21H28N2O2/c1-3-4-5-6-7-15-25-18-13-11-17(12-14-18)21(24)23-20-10-8-9-19(22)16(20)2/h8-14H,3-7,15,22H2,1-2H3,(H,23,24)
InChIKey
LJFNGVUSXQXTKS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)C(=O)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)c1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
Acid pKa
13.215858
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.242897
LogD (pH = 7.4)
5.2494745
Log P
5.24956
Molar Refractivity
105.4729
Polarizability
39.41863
Polar Surface Area
64.35
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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