Molecule

ID:41819

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂
Molecular Mass
218.2533
Exact Mass
218.08439833
Charge
0
InChI
InChI=1S/C15H10N2/c16-10-13-8-4-5-9-14(13)15(11-17)12-6-2-1-3-7-12/h1-9,15H
InChIKey
FVQZELZNBUVEQG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1C(c1ccccc1)C#N
Isomeric Smiles
C(c1c(cccc1)C#N)(c1ccccc1)C#N
Calculated Properties
JChem
Acid pKa
11.591242
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.201829
LogD (pH = 7.4)
3.2018015
Log P
3.2018294
Molar Refractivity
66.736
Polarizability
25.29838
Polar Surface Area
47.58
Rotatable Bonds
2
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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