Molecule

ID:22946

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-12(2)15-9-8-13(3)10-18(15)23-11-19(22)21-17-7-5-6-16(20)14(17)4/h5-10,12H,11,20H2,1-4H3,(H,21,22)
InChIKey
JSCDOBFXRNPCNS-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1C)N)COc1cc(C)ccc1C(C)C
Isomeric Smiles
c1(c(NC(=O)COc2c(ccc(c2)C)C(C)C)cccc1N)C
Calculated Properties
JChem
Acid pKa
12.601742
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1633654
LogD (pH = 7.4)
4.1706886
Log P
4.170786
Molar Refractivity
95.8567
Polarizability
35.59932
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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