Molecule

ID:89725

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-4-8-7(3)10-6(2)5-9-8/h1,5H,2-3H3
InChIKey
XEDCOEUZVDDDDQ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(C)cnc1C#C
Isomeric Smiles
n1c(c(ncc1C)C#C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.33729708
LogD (pH = 7.4)
0.33732653
Log P
0.3373269
Molar Refractivity
35.7275
Polarizability
14.644326
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
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References
Bioactivity
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