Molecule

ID:91171

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O
Molecular Mass
184.19402
Exact Mass
184.06366289
Charge
0
InChI
InChI=1S/C11H8N2O/c14-9-12-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H
InChIKey
PUPFPJGLDBUOOI-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cccc(c1)n1cccc1
Isomeric Smiles
n1(c2cccc(c2)N=C=O)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.409
LogD (pH = 7.4)
2.409
Log P
2.409
Molar Refractivity
64.8824
Polarizability
20.620491
Polar Surface Area
34.36
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
No Data Available
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Molecule Details
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References
Bioactivity
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