Molecule

ID:103014

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₃
Molecular Mass
183.20926
Exact Mass
183.0796473
Charge
0
InChI
InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)
InChIKey
UNDUSVBXIVZGOQ-UHFFFAOYSA-N
Canonic Smiles
N=c1[nH]c2cccc3c2c([nH]1)ccc3
Isomeric Smiles
N=c1[nH]c2cccc3cccc([nH]1)c23
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.22926374
LogD (pH = 7.4)
0.6453878
Log P
2.1475477
Molar Refractivity
68.917
Polarizability
21.987698
Polar Surface Area
47.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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