Molecule

ID:23008

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-11-3-9-15(10-4-11)20-12(2)16(19)18-14-7-5-13(17)6-8-14/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKey
HBPMQPCUXRBTJK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)OC(C(=O)Nc1ccc(cc1)N)C
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)C(Oc1ccc(cc1)C)C
Calculated Properties
JChem
Acid pKa
13.339774
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9716713
LogD (pH = 7.4)
2.9809988
Log P
2.9811194
Molar Refractivity
81.1186
Polarizability
30.223629
Polar Surface Area
64.35
Rotatable Bonds
4
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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