Molecule

ID:73520

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁N₃
Molecular Mass
209.24654
Exact Mass
209.09529737
Charge
0
InChI
InChI=1S/C13H11N3/c14-9-13(11-5-4-8-15-10-11)16-12-6-2-1-3-7-12/h1-8,10,13,16H
InChIKey
LCJYDAGMDMNRFO-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1cccnc1)Nc1ccccc1
Isomeric Smiles
N#CC(c1cnccc1)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
12.862191
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6454566
LogD (pH = 7.4)
1.6999578
Log P
1.700713
Molar Refractivity
63.5167
Polarizability
23.691254
Polar Surface Area
48.71
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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