Molecule

ID:114217

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-8-3-2-4-9(7-8)10-5-6-11(14)13-12-10/h2-7H,1H3,(H,13,14)
InChIKey
JICNGCGGNRONMO-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1ccc(nn1)O
Isomeric Smiles
n1nc(ccc1c1cc(ccc1)C)O
Calculated Properties
JChem
Acid pKa
8.480857
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6127162
LogD (pH = 7.4)
2.5790384
Log P
2.6131928
Molar Refractivity
55.8642
Polarizability
21.894934
Polar Surface Area
46.01
Rotatable Bonds
1
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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