Molecule

ID:16207

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h2-6H,1H3
InChIKey
FSWRUYCICUXURT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)nccc2
Isomeric Smiles
c1cnc2c(c1)ccc(n2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3695706
LogD (pH = 7.4)
1.3696023
Log P
1.3696028
Molar Refractivity
43.9867
Polarizability
17.166658
Polar Surface Area
25.78
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
References
Bioactivity
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