Molecule

ID:121658

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N₃O
Molecular Mass
237.25664
Exact Mass
237.09021199
Charge
0
InChI
InChI=1S/C14H11N3O/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h1-9H,15H2
InChIKey
RTUMKDLRVKWGAS-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1onc(n1)c1ccccc1
Isomeric Smiles
n1c(noc1c1cc(N)ccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4176054
LogD (pH = 7.4)
3.4195807
Log P
3.419606
Molar Refractivity
91.8872
Polarizability
27.153034
Polar Surface Area
64.94
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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