Molecule

ID:107560

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂
Molecular Mass
156.18392
Exact Mass
156.06874827
Charge
0
InChI
InChI=1S/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H2
InChIKey
FUQCKESKNZBNOG-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)CC#N
Isomeric Smiles
N#CCc1ccc(CC#N)cc1
Calculated Properties
JChem
Acid pKa
13.956275
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3646401
LogD (pH = 7.4)
1.36464
Log P
1.3646401
Molar Refractivity
46.6318
Polarizability
17.370808
Polar Surface Area
47.58
Rotatable Bonds
2
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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