Molecule

ID:27265

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃N₃O₃
Molecular Mass
307.30342
Exact Mass
307.09569129
Charge
0
InChI
InChI=1S/C17H13N3O3/c18-20-17(21)12-8-14(19-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)23-9-22-15/h1-8H,9,18H2,(H,20,21)
InChIKey
FZJOXZSVDMHGIP-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cc2c(OCO2)cc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.735025
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.3404536
LogD (pH = 7.4)
2.3413627
Log P
2.3413742
Molar Refractivity
84.0729
Polarizability
34.62936
Polar Surface Area
86.47
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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