Molecule

ID:43295

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂
Molecular Mass
120.15182
Exact Mass
120.06874827
Charge
0
InChI
InChI=1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4H,3,5H2,(H,8,9)
InChIKey
ZFFYPGZDXUPKNK-UHFFFAOYSA-N
Canonic Smiles
C1Cc2c(N1)nccc2
Isomeric Smiles
c12NCCc2cccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.34627905
LogD (pH = 7.4)
0.7219588
Log P
0.86269754
Molar Refractivity
37.718
Polarizability
13.443374
Polar Surface Area
24.92
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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