Molecule

ID:71839

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c1-8-13-7-10(12(15)16)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16)
InChIKey
XKJAQESOTNACHT-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc(c(n1)c1ccccc1)C(=O)O
Isomeric Smiles
c1(nc(ncc1C(=O)O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.8407254
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.48287052
LogD (pH = 7.4)
-1.1156386
Log P
2.170893
Molar Refractivity
59.3671
Polarizability
23.584967
Polar Surface Area
63.08
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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