Molecule

ID:71535

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₂
Molecular Mass
280.32114
Exact Mass
280.12117776
Charge
0
InChI
InChI=1S/C17H16N2O2/c1-2-12-7-3-6-10-15(12)18-11-19-16(20)13-8-4-5-9-14(13)17(19)21/h3-10,18H,2,11H2,1H3
InChIKey
KYLVBZLISCEGMO-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1NCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1ccc(c(CC)c1)NCN1C(=O)c2c(C1=O)cccc2
Calculated Properties
JChem
Acid pKa
17.300203
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.259062
LogD (pH = 7.4)
3.2596812
Log P
3.259689
Molar Refractivity
82.946
Polarizability
30.306095
Polar Surface Area
49.41
Rotatable Bonds
4
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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