Molecule

ID:27235

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅N₃O₂
Molecular Mass
293.3199
Exact Mass
293.11642674
Charge
0
InChI
InChI=1S/C17H15N3O2/c1-22-16-9-5-3-7-12(16)15-10-13(17(21)20-18)11-6-2-4-8-14(11)19-15/h2-10H,18H2,1H3,(H,20,21)
InChIKey
JDFQVZUUDLLYGO-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cccc2)c1ccccc1OC
Isomeric Smiles
c1(nc2c(c(c1)C(=O)NN)cccc2)c1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
14.697946
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.5596645
LogD (pH = 7.4)
2.5604594
Log P
2.5604694
Molar Refractivity
84.7692
Polarizability
34.7343
Polar Surface Area
77.24
Rotatable Bonds
3
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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