Molecule

ID:73519

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁N₃
Molecular Mass
209.24654
Exact Mass
209.09529737
Charge
0
InChI
InChI=1S/C13H11N3/c14-10-13(11-6-8-15-9-7-11)16-12-4-2-1-3-5-12/h1-9,13,16H
InChIKey
ZQEGWGUGAZWBPY-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccncc1)Nc1ccccc1
Isomeric Smiles
N#CC(c1ccncc1)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
13.117347
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5983931
LogD (pH = 7.4)
1.6992172
Log P
1.700713
Molar Refractivity
63.5167
Polarizability
23.690884
Polar Surface Area
48.71
Rotatable Bonds
3
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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