Molecule

ID:82971

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂
Molecular Mass
194.2319
Exact Mass
194.08439833
Charge
0
InChI
InChI=1S/C13H10N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h1-9H,(H,14,15)
InChIKey
TVZLXTOULIAGKU-UHFFFAOYSA-N
Canonic Smiles
c1[nH]nc(c1)c1cccc2c1cccc2
Isomeric Smiles
n1c(c2c3c(ccc2)cccc3)cc[nH]1
Calculated Properties
JChem
Acid pKa
14.745132
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2998445
LogD (pH = 7.4)
3.2999804
Log P
3.2999823
Molar Refractivity
60.9598
Polarizability
25.823526
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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