Molecule

ID:57032

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₃
Molecular Mass
267.27932
Exact Mass
267.08954328
Charge
0
InChI
InChI=1S/C16H13NO3/c1-9-5-6-11-12(16(18)19)8-13(14-4-3-7-20-14)17-15(11)10(9)2/h3-8H,1-2H3,(H,18,19)
InChIKey
IDMLFUWRDFYFPS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1ccc(c2C)C)c1ccco1
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1ccco1)C(=O)O)C)C
Calculated Properties
JChem
Acid pKa
3.573477
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9873958
LogD (pH = 7.4)
0.55642676
Log P
3.9086485
Molar Refractivity
74.473
Polarizability
30.6466
Polar Surface Area
63.33
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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