Molecule

ID:23219

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-2-3-4-5-14-23-18-12-6-15(7-13-18)19(22)21-17-10-8-16(20)9-11-17/h6-13H,2-5,14,20H2,1H3,(H,21,22)
InChIKey
QUHCGXBJKKZLKV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)c1ccc(cc1)OCCCCCC
Calculated Properties
JChem
Acid pKa
12.846745
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.282614
LogD (pH = 7.4)
4.2914543
Log P
4.2915697
Molar Refractivity
95.8307
Polarizability
35.806713
Polar Surface Area
64.35
Rotatable Bonds
8
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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