Molecule

ID:86130

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂
Molecular Mass
182.2212
Exact Mass
182.08439833
Charge
0
InChI
InChI=1S/C12H10N2/c1-10-4-6-11(7-5-10)14-8-2-3-12(14)9-13/h2-8H,1H3
InChIKey
ASFPSMFKRRQDIX-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccn1c1ccc(cc1)C
Isomeric Smiles
n1(c2ccc(cc2)C)c(ccc1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6082
LogD (pH = 7.4)
2.6082
Log P
2.6082
Molar Refractivity
66.4507
Polarizability
21.95456
Polar Surface Area
28.72
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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