Molecule

ID:72200

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂
Molecular Mass
168.19462
Exact Mass
168.06874827
Charge
0
InChI
InChI=1S/C11H8N2/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8/h2-6H,1H3
InChIKey
BQAMFFZNQIMHJG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(C)nc2c1cccc2
Isomeric Smiles
n1c2c(c(C#N)cc1C)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1183543
LogD (pH = 7.4)
2.1183667
Log P
2.1183667
Molar Refractivity
50.2924
Polarizability
20.612125
Polar Surface Area
36.68
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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