Molecule

ID:34663

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-13-8-4-2-7(3-5-8)9-6-10(11)14-12-9/h2-6H,11H2,1H3
InChIKey
PHOQFLXRNUDPHQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1noc(c1)N
Isomeric Smiles
c1c(noc1N)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
15.777768
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4734409
LogD (pH = 7.4)
1.4735591
Log P
1.4735607
Molar Refractivity
52.6811
Polarizability
20.90858
Polar Surface Area
61.28
Rotatable Bonds
2
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
References
Bioactivity
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