Molecule

ID:76051

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-7-11-10(14-12-7)9-4-2-3-8(5-9)6-13/h2-5,13H,6H2,1H3
InChIKey
ZBIYTANHMLGZFB-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)c1onc(n1)C
Isomeric Smiles
OCc1cc(ccc1)c1nc(no1)C
Calculated Properties
JChem
Acid pKa
14.794178
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5961472
LogD (pH = 7.4)
1.5961477
Log P
1.5961477
Molar Refractivity
63.216
Polarizability
19.93607
Polar Surface Area
59.15
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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