Molecule

ID:23494

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₃
Molecular Mass
314.37888
Exact Mass
314.16304257
Charge
0
InChI
InChI=1S/C18H22N2O3/c1-4-12(2)23-15-8-5-13(6-9-15)18(21)20-16-11-14(19)7-10-17(16)22-3/h5-12H,4,19H2,1-3H3,(H,20,21)
InChIKey
QWPIDDMDGYOUSY-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)C(=O)Nc1cc(N)ccc1OC)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1ccc(OC(CC)C)cc1
Calculated Properties
JChem
Acid pKa
12.226739
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.1732051
LogD (pH = 7.4)
3.2161837
Log P
3.2167675
Molar Refractivity
92.9097
Polarizability
34.63386
Polar Surface Area
73.58
Rotatable Bonds
6
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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