Molecule

ID:72228

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O₂
Molecular Mass
226.2307
Exact Mass
226.07422757
Charge
0
InChI
InChI=1S/C13H10N2O2/c16-9-10-8-12(6-7-13(10)17)15-14-11-4-2-1-3-5-11/h1-9,17H/b15-14+
InChIKey
XPVBLJIHHYLHOE-CCEZHUSRSA-N
Canonic Smiles
O=Cc1cc(/N=N/c2ccccc2)ccc1O
Isomeric Smiles
c1(c(ccc(/N=N/c2ccccc2)c1)O)C=O
Calculated Properties
JChem
Acid pKa
7.320746
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.4316115
LogD (pH = 7.4)
4.099688
Log P
4.4380765
Molar Refractivity
68.9419
Polarizability
24.059996
Polar Surface Area
62.02
Rotatable Bonds
3
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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