Molecule

ID:10649

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
InChIKey
GCMNJUJAKQGROZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(n1)cccc2
Isomeric Smiles
c1ccc2c(c1)ccc(n2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.177985
LogD (pH = 7.4)
1.8724972
Log P
1.896432
Molar Refractivity
44.9932
Polarizability
18.160662
Polar Surface Area
38.91
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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