Molecule

ID:80700

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2
InChIKey
DETKIRMPBJPJRQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)Oc1ccccc1
Isomeric Smiles
n1c(ccc(c1)N)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0210779
LogD (pH = 7.4)
2.0213883
Log P
2.021392
Molar Refractivity
55.1558
Polarizability
20.90325
Polar Surface Area
48.14
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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