Molecule

ID:133646

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O₃
Molecular Mass
284.30984
Exact Mass
284.11609238
Charge
0
InChI
InChI=1S/C16H16N2O3/c17-15(20)14(10-11-6-8-13(19)9-7-11)18-16(21)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H2,17,20)(H,18,21)
InChIKey
QYBPBEKJXBRSGI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(NC(=O)c1ccccc1)Cc1ccc(cc1)O
Isomeric Smiles
c1ccc(cc1)C(=O)NC(Cc1ccc(cc1)O)C(=O)N
Calculated Properties
JChem
Acid pKa
9.503956
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.6400853
LogD (pH = 7.4)
1.636743
Log P
1.6401281
Molar Refractivity
79.0337
Polarizability
30.095009
Polar Surface Area
92.42
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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