Molecule
ID:70717
General Information
Molecular Formula
C₁₀H₈N₂
Molecular Mass
156.18392
Exact Mass
156.06874827
Charge
0
InChI
InChI=1S/C10H8N2/c1-3-8-4-5-10-9(6-8)7(2)11-12-10/h1,4-6H,2H3,(H,11,12)
InChIKey
UGPLMCAEQYQOEP-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c2c1cc(cc2)C#C
Isomeric Smiles
[nH]1nc(c2cc(ccc12)C#C)C
Calculated Properties
JChem
Acid pKa
14.438884
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.578269
LogD (pH = 7.4)
1.57851
Log P
1.5785131
Molar Refractivity
45.8369
Polarizability
19.030687
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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