Molecule
ID:53278
General Information
Molecular Formula
C₁₃H₁₀N₂
Molecular Mass
194.2319
Exact Mass
194.08439833
Charge
0
InChI
InChI=1S/C13H10N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-10H
InChIKey
XNCMQRWVMWLODV-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)n1cnc2c1cccc2
Isomeric Smiles
c1nc2c(n1c1ccccc1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5681388
LogD (pH = 7.4)
2.7515604
Log P
2.7546
Molar Refractivity
69.9621
Polarizability
25.085688
Polar Surface Area
17.82
Rotatable Bonds
1
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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