Molecule

ID:23087

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-3-4-7-12-23-18-9-6-5-8-16(18)19(22)21-17-11-10-15(20)13-14(17)2/h5-6,8-11,13H,3-4,7,12,20H2,1-2H3,(H,21,22)
InChIKey
QTMFRJAQCCCKKQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1C(=O)Nc1ccc(cc1C)N
Isomeric Smiles
C(=O)(c1c(OCCCCC)cccc1)Nc1c(cc(N)cc1)C
Calculated Properties
JChem
Acid pKa
12.352584
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.347245
LogD (pH = 7.4)
4.3602495
Log P
4.3604226
Molar Refractivity
96.2709
Polarizability
35.731575
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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