Molecule

ID:92538

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆N₂
Molecular Mass
154.16804
Exact Mass
154.0530982
Charge
0
InChI
InChI=1S/C10H6N2/c1-2-8-3-4-9-10(7-8)12-6-5-11-9/h1,3-7H
InChIKey
QSYDWUWZZBZOCD-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccc2c(c1)nccn2
Isomeric Smiles
n1ccnc2cc(ccc12)C#C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4498537
LogD (pH = 7.4)
1.4499129
Log P
1.4499136
Molar Refractivity
42.6227
Polarizability
18.691307
Polar Surface Area
25.78
Rotatable Bonds
0
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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