Molecule

ID:112759

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-8-4-5-10(14)9(7-8)12-13-11-3-2-6-15-11/h2-7,14H,1H3
InChIKey
PMUOOCYMUMKFTB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)/N=N/c1ccco1)O
Isomeric Smiles
Cc1ccc(O)c(c1)/N=N/c1ccco1
Calculated Properties
JChem
Acid pKa
12.348862
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.818532
LogD (pH = 7.4)
3.8185272
Log P
3.818532
Molar Refractivity
59.1658
Polarizability
20.816338
Polar Surface Area
58.09
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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