Molecule

ID:88696

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂
Molecular Mass
156.18392
Exact Mass
156.06874827
Charge
0
InChI
InChI=1S/C10H8N2/c1-2-9-5-8(6-11)3-4-10(9)7-12/h3-5H,2H2,1H3
InChIKey
IYELWAPDJVBJLO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)CC)C#N
Isomeric Smiles
N#Cc1c(cc(cc1)C#N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6434283
LogD (pH = 7.4)
2.6434283
Log P
2.6434283
Molar Refractivity
47.1434
Polarizability
17.597971
Polar Surface Area
47.58
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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