Molecule

ID:22814

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-20-15-9-8-13(17)11-14(15)18-16(19)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10,17H2,1H3,(H,18,19)
InChIKey
KHZUKWYWVLHPIA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)CCc1ccccc1)N
Isomeric Smiles
c1(NC(=O)CCc2ccccc2)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
12.40674
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4395366
LogD (pH = 7.4)
2.5023992
Log P
2.5032675
Molar Refractivity
81.4075
Polarizability
30.30226
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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