Molecule

ID:90899

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c13-11(15)10-7-4-8-14-12(10)16-9-5-2-1-3-6-9/h1-8H,(H2,13,15)
InChIKey
FTBCRRFSFTVINJ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cccnc1Oc1ccccc1
Isomeric Smiles
n1c(c(ccc1)C(=O)N)Oc1ccccc1
Calculated Properties
JChem
Acid pKa
12.485104
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7009513
LogD (pH = 7.4)
1.7009615
Log P
1.7009584
Molar Refractivity
59.5338
Polarizability
22.597118
Polar Surface Area
65.21
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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