Molecule

ID:22976

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-3-4-5-13-23-16-11-9-15(10-12-16)19(22)21-18-8-6-7-17(20)14(18)2/h6-12H,3-5,13,20H2,1-2H3,(H,21,22)
InChIKey
RDMQVRDNHUPAKI-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)C(=O)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)c1ccc(cc1)OCCCCC
Calculated Properties
JChem
Acid pKa
13.215858
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.35376
LogD (pH = 7.4)
4.3603373
Log P
4.3604226
Molar Refractivity
96.2709
Polarizability
35.730003
Polar Surface Area
64.35
Rotatable Bonds
7
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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