Molecule

ID:66870

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂
Molecular Mass
194.2319
Exact Mass
194.08439833
Charge
0
InChI
InChI=1S/C13H10N2/c1-2-5-10(6-3-1)12-9-13-11(15-12)7-4-8-14-13/h1-9,15H
InChIKey
MHTVGGZESFVQIQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1cc2c([nH]1)cccn2
Isomeric Smiles
[nH]1c(cc2ncccc12)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.111535
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7515576
LogD (pH = 7.4)
2.8066568
Log P
2.8074121
Molar Refractivity
59.6293
Polarizability
25.821117
Polar Surface Area
28.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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