Molecule

ID:23007

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-13-15(20)9-7-10-16(13)21-18(22)12-23-17-11-6-5-8-14(17)19(2,3)4/h5-11H,12,20H2,1-4H3,(H,21,22)
InChIKey
LOTRTDWBVDDWSF-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1C)N)COc1ccccc1C(C)(C)C
Isomeric Smiles
c1(c(NC(=O)COc2c(C(C)(C)C)cccc2)cccc1N)C
Calculated Properties
JChem
Acid pKa
12.601742
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.950122
LogD (pH = 7.4)
3.9573162
Log P
3.9574115
Molar Refractivity
95.2906
Polarizability
35.677063
Polar Surface Area
64.35
Rotatable Bonds
5
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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