Molecule
ID:73460
General Information
Molecular Formula
C₁₃H₁₀N₂
Molecular Mass
194.2319
Exact Mass
194.08439833
Charge
0
InChI
InChI=1S/C13H10N2/c1-2-6-12-10(4-1)8-13(15-12)11-5-3-7-14-9-11/h1-9,15H
InChIKey
KDWAJWXWMMNKHA-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)c1cc2c([nH]1)cccc2
Isomeric Smiles
[nH]1c(cc2c1cccc2)c1cnccc1
Calculated Properties
JChem
Acid pKa
14.815012
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3813484
LogD (pH = 7.4)
2.4210258
Log P
2.421562
Molar Refractivity
60.0013
Polarizability
25.805435
Polar Surface Area
28.68
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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