Molecule

ID:77517

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂
Molecular Mass
156.18392
Exact Mass
156.06874827
Charge
0
InChI
InChI=1S/C10H8N2/c1-12-6-5-8-3-2-4-9(7-11)10(8)12/h2-6H,1H3
InChIKey
AWHDVBPFISCVRT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc2c1n(C)cc2
Isomeric Smiles
n1(ccc2c1c(ccc2)C#N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1517801
LogD (pH = 7.4)
2.1517801
Log P
2.1517801
Molar Refractivity
47.7628
Polarizability
19.192766
Polar Surface Area
28.72
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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