Molecule

ID:114205

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O
Molecular Mass
222.242
Exact Mass
222.07931295
Charge
0
InChI
InChI=1S/C14H10N2O/c17-14-9-8-13(15-16-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17)
InChIKey
ICAGUJCIYINNRR-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(nn1)c1cccc2c1cccc2
Isomeric Smiles
n1nc(ccc1c1c2c(ccc1)cccc2)O
Calculated Properties
JChem
Acid pKa
8.415111
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0887086
LogD (pH = 7.4)
3.049771
Log P
3.0892482
Molar Refractivity
67.2732
Polarizability
27.74018
Polar Surface Area
46.01
Rotatable Bonds
1
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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