Molecule

ID:122724

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁N₃O
Molecular Mass
225.24594
Exact Mass
225.09021199
Charge
0
InChI
InChI=1S/C13H11N3O/c14-8-9-3-5-10(6-4-9)13-16-12-11(17-13)2-1-7-15-12/h1-7H,8,14H2
InChIKey
SFGUNZSVPBOFNU-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)c1nc2c(o1)cccn2
Isomeric Smiles
n1c(oc2c1nccc2)c1ccc(cc1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3957542
LogD (pH = 7.4)
-0.35617724
Log P
1.5777363
Molar Refractivity
75.714
Polarizability
25.931103
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
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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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