Molecule

ID:115239

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c13-7-9-6-12(16-14-9)11-5-8-3-1-2-4-10(8)15-11/h1-6H,7,13H2
InChIKey
QUNOAWOVGFEHKB-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(c1)c1cc2c(o1)cccc2
Isomeric Smiles
c1(c2cc(no2)CN)oc2c(c1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2349219
LogD (pH = 7.4)
0.45703295
Log P
1.1913825
Molar Refractivity
59.1835
Polarizability
25.0604
Polar Surface Area
65.19
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
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References
Bioactivity
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