Molecule

ID:9851

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H3
InChIKey
OSRARURJYPOUOV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nccn2
Isomeric Smiles
c12nccnc1ccc(c2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8123184
LogD (pH = 7.4)
1.8124975
Log P
1.8124998
Molar Refractivity
42.4916
Polarizability
17.88374
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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