Molecule

ID:37475

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂
Molecular Mass
182.2212
Exact Mass
182.08439833
Charge
0
InChI
InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
InChIKey
PSFDQSOCUJVVGF-UHFFFAOYSA-N
Canonic Smiles
Cc1nccc2c1[nH]c1c2cccc1
Isomeric Smiles
c1ccc2c(c1)c1c([nH]2)c(ncc1)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.99
LogD (pH = 5.5)
1.45
Log P
2.00
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
5.97
Polar Surface Area
28.68
Polarizability
20.28
Molar Refractivity
55.91
LOG S
-3.01
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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