Molecule

ID:75984

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₃
Molecular Mass
183.20926
Exact Mass
183.0796473
Charge
0
InChI
InChI=1S/C11H9N3/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,1H3
InChIKey
OGJIPYGVYSEOQL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)c1ccn(n1)C
Isomeric Smiles
n1(ccc(n1)c1ccc(cc1)C#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2901583
LogD (pH = 7.4)
2.2902763
Log P
2.2902777
Molar Refractivity
65.4472
Polarizability
21.713219
Polar Surface Area
41.61
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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