Molecule

ID:12569

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c1-8(18)16-9-5-6-13-12(7-9)10-3-2-4-11(10)14(17-13)15(19)20/h2-3,5-7,10-11,14,17H,4H2,1H3,(H,16,18)(H,19,20)
InChIKey
QLBLLPHHKLJIQF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc2c(c1)C1C=CCC1C(N2)C(=O)O
Isomeric Smiles
N1C(C2C(c3cc(ccc13)NC(=O)C)C=CC2)C(=O)O
Calculated Properties
JChem
Acid pKa
2.4552197
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.55504686
LogD (pH = 7.4)
-2.0938156
Log P
0.47227678
Molar Refractivity
77.7909
Polarizability
28.068193
Polar Surface Area
78.43
Rotatable Bonds
2
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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