Molecule

ID:23855

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂
Molecular Mass
118.13594
Exact Mass
118.0530982
Charge
0
InChI
InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H
InChIKey
XWIYUCRMWCHYJR-UHFFFAOYSA-N
Canonic Smiles
c1cnc2c(c1)[nH]cc2
Isomeric Smiles
c1cnc2c(c1)[nH]cc2
Calculated Properties
JChem
Acid pKa
14.368513
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1572884
LogD (pH = 7.4)
1.2390258
Log P
1.2401857
Molar Refractivity
34.6156
Polarizability
14.711111
Polar Surface Area
28.68
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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