Molecule

ID:27266

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₂
Molecular Mass
267.28262
Exact Mass
267.10077667
Charge
0
InChI
InChI=1S/C15H13N3O2/c1-9-6-7-14(20-9)13-8-11(15(19)18-16)10-4-2-3-5-12(10)17-13/h2-8H,16H2,1H3,(H,18,19)
InChIKey
RUIGBNMQAXQEGC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cccc2)c1ccc(o1)C
Isomeric Smiles
c1(cc(nc2c1cccc2)c1oc(cc1)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.583898
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9771821
LogD (pH = 7.4)
1.977939
Log P
1.9779488
Molar Refractivity
75.8466
Polarizability
30.82038
Polar Surface Area
81.15
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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