Molecule

ID:22872

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₃
Molecular Mass
314.37888
Exact Mass
314.16304257
Charge
0
InChI
InChI=1S/C18H22N2O3/c1-3-4-11-23-15-8-5-13(6-9-15)18(21)20-16-12-14(19)7-10-17(16)22-2/h5-10,12H,3-4,11,19H2,1-2H3,(H,20,21)
InChIKey
CMDCQCCYBWOUGJ-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1ccc(cc1)OCCCC
Calculated Properties
JChem
Acid pKa
12.22985
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.201157
LogD (pH = 7.4)
3.2441769
Log P
3.2447612
Molar Refractivity
93.0919
Polarizability
34.634018
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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