Molecule

ID:101309

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)9-5-3-2-4-8(9)6-13/h2-5,13H,6H2,1H3
InChIKey
BYRLVHLJWIKABJ-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1c1onc(n1)C
Isomeric Smiles
n1c(onc1C)c1c(CO)cccc1
Calculated Properties
JChem
Acid pKa
14.986498
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5961473
LogD (pH = 7.4)
1.5961477
Log P
1.5961477
Molar Refractivity
63.216
Polarizability
19.93756
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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