Molecule

ID:22985

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-3-4-7-13-23-18-12-6-5-9-15(18)19(22)21-17-11-8-10-16(20)14(17)2/h5-6,8-12H,3-4,7,13,20H2,1-2H3,(H,21,22)
InChIKey
RWOGFBYBEPCANW-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1C(=O)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(c1c(OCCCCC)cccc1)Nc1c(c(N)ccc1)C
Calculated Properties
JChem
Acid pKa
12.617215
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.3534675
LogD (pH = 7.4)
4.3603315
Log P
4.3604226
Molar Refractivity
96.2709
Polarizability
35.732704
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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