Molecule

ID:10018

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
InChIKey
WREVVZMUNPAPOV-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1nccc2
Isomeric Smiles
Nc1c2c(ccc1)cccn2
Calculated Properties
JChem
Acid pKa
19.945225
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2826123
LogD (pH = 7.4)
1.3017248
Log P
1.3019745
Molar Refractivity
44.6797
Polarizability
18.166979
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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