Molecule

ID:78713

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2
InChIKey
YCWRFIYBUQBHJI-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)N
Isomeric Smiles
N#CCc1ccc(cc1)N
Calculated Properties
JChem
Acid pKa
14.829192
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8192123
LogD (pH = 7.4)
0.83974874
Log P
0.840017
Molar Refractivity
41.0453
Polarizability
14.992392
Polar Surface Area
49.81
Rotatable Bonds
1
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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