Molecule

ID:90785

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O
Molecular Mass
184.19402
Exact Mass
184.06366289
Charge
0
InChI
InChI=1S/C11H8N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-8H
InChIKey
JUYLMPWKVWDXBE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ncccn1
Isomeric Smiles
n1c(nccc1)c1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1057653
LogD (pH = 7.4)
2.1058269
Log P
2.1058276
Molar Refractivity
64.7174
Polarizability
20.715824
Polar Surface Area
42.85
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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