Molecule

ID:71603

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O₂
Molecular Mass
268.31044
Exact Mass
268.12117776
Charge
0
InChI
InChI=1S/C16H16N2O2/c1-17(15(19)13-9-5-3-6-10-13)18(2)16(20)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey
PQEZHJRKUSZEBK-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C
Isomeric Smiles
N(N(C(=O)c1ccccc1)C)(C(=O)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5359633
LogD (pH = 7.4)
2.5359633
Log P
2.5359633
Molar Refractivity
78.4662
Polarizability
29.264452
Polar Surface Area
40.62
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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