Molecule

ID:22891

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₃
Molecular Mass
314.37888
Exact Mass
314.16304257
Charge
0
InChI
InChI=1S/C18H22N2O3/c1-3-4-10-23-15-7-5-6-13(11-15)18(21)20-16-12-14(19)8-9-17(16)22-2/h5-9,11-12H,3-4,10,19H2,1-2H3,(H,20,21)
InChIKey
LHYNOUGVPGLDSP-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1cc(OCCCC)ccc1
Calculated Properties
JChem
Acid pKa
11.913111
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.201642
LogD (pH = 7.4)
3.2441761
Log P
3.2447612
Molar Refractivity
93.0919
Polarizability
34.634594
Polar Surface Area
73.58
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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