Molecule

ID:16658

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₃
Molecular Mass
286.32572
Exact Mass
286.13174245
Charge
0
InChI
InChI=1S/C16H18N2O3/c1-12-14(11-19)13-4-2-3-5-15(13)18(12)10-16(20)17-6-8-21-9-7-17/h2-5,11H,6-10H2,1H3
InChIKey
UKXCCBXLWKJPFA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(=O)N1CCOCC1
Isomeric Smiles
c12c(c(c(n1CC(=O)N1CCOCC1)C)C=O)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1076399
LogD (pH = 7.4)
1.1076399
Log P
1.1076399
Molar Refractivity
80.5496
Polarizability
31.411629
Polar Surface Area
51.54
Rotatable Bonds
3
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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