Molecule

ID:23341

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-2-11-20-15-6-4-3-5-14(15)16(19)18-13-9-7-12(17)8-10-13/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKey
VXKCFZOBSPNTPP-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(c1c(OCCC)cccc1)Nc1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.247477
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9501016
LogD (pH = 7.4)
2.9577594
Log P
2.9578638
Molar Refractivity
82.0277
Polarizability
30.278204
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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