Molecule

ID:63262

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂
Molecular Mass
94.11454
Exact Mass
94.0530982
Charge
0
InChI
InChI=1S/C5H6N2/c1-5-3-2-4-6-7-5/h2-4H,1H3
InChIKey
MXDRPNGTQDRKQM-UHFFFAOYSA-N
Canonic Smiles
Cc1cccnn1
Isomeric Smiles
c1(cccnn1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.09587246
LogD (pH = 7.4)
-0.09286488
Log P
-0.092826396
Molar Refractivity
28.3559
Polarizability
10.305169
Polar Surface Area
25.78
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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