Molecule

ID:113844

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁N₃
Molecular Mass
209.24654
Exact Mass
209.09529737
Charge
0
InChI
InChI=1S/C13H11N3/c14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13/h1-9H,14H2
InChIKey
RJGJCHYNEWULMZ-UHFFFAOYSA-N
Canonic Smiles
Nc1c(nc2n1cccc2)c1ccccc1
Isomeric Smiles
n12c(c(nc1cccc2)c1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8133233
LogD (pH = 7.4)
1.9080935
Log P
2.0529902
Molar Refractivity
64.6543
Polarizability
25.43704
Polar Surface Area
43.32
Rotatable Bonds
1
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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