Molecule

ID:73458

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-7-8-4-2-3-5-10(8)6-9-7/h2-6H,1H3
InChIKey
FSEDFOMIQFYQCU-UHFFFAOYSA-N
Canonic Smiles
Cc1ncn2c1cccc2
Isomeric Smiles
n1cn2ccccc2c1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.48385453
LogD (pH = 7.4)
0.15364274
Log P
0.5427758
Molar Refractivity
40.9282
Polarizability
15.742982
Polar Surface Area
17.3
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
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References
Bioactivity
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