Molecule

ID:11563

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-4-17(5-2)16(20)10-18-12(3)14(11-19)13-8-6-7-9-15(13)18/h6-9,11H,4-5,10H2,1-3H3
InChIKey
GPVKGJPWAXSITP-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)Cn1c2ccccc2c(c1C)C=O)CC
Isomeric Smiles
c1ccc2c(c1)c(c(n2CC(=O)N(CC)CC)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0397563
LogD (pH = 7.4)
2.0397563
Log P
2.0397563
Molar Refractivity
80.9723
Polarizability
31.46129
Polar Surface Area
42.31
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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