Molecule

ID:57460

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁N₃
Molecular Mass
209.24654
Exact Mass
209.09529737
Charge
0
InChI
InChI=1S/C13H11N3/c14-16-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H,14H2,(H,15,16)
InChIKey
VODJTROQLRJXHY-UHFFFAOYSA-N
Canonic Smiles
NNc1nc2ccccc2c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)nc(c1c2cccc1)NN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3477937
LogD (pH = 7.4)
2.4481478
Log P
3.1064773
Molar Refractivity
66.4497
Polarizability
27.19755
Polar Surface Area
50.94
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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