Molecule

ID:54609

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₃
Molecular Mass
256.25668
Exact Mass
256.08479225
Charge
0
InChI
InChI=1S/C14H12N2O3/c15-11-4-2-1-3-10(11)14(17)16-9-5-6-12-13(7-9)19-8-18-12/h1-7H,8,15H2,(H,16,17)
InChIKey
JSRJQMPXDZBFNI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1N)Nc1ccc2c(c1)OCO2
Isomeric Smiles
C(=O)(c1c(N)cccc1)Nc1cc2c(OCO2)cc1
Calculated Properties
JChem
Acid pKa
11.608598
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.5092335
LogD (pH = 7.4)
2.5094101
Log P
2.509438
Molar Refractivity
72.0588
Polarizability
26.550112
Polar Surface Area
73.58
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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