Molecule

ID:79401

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c1-9-5-3-7-12(10(9)2)16-13-11(14)6-4-8-15-13/h3-8H,14H2,1-2H3
InChIKey
PIQSAGQZHVNDSE-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1Oc1cccc(c1C)C
Isomeric Smiles
O(c1ncccc1N)c1c(c(ccc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0479429
LogD (pH = 7.4)
3.0482314
Log P
3.048235
Molar Refractivity
65.2382
Polarizability
24.437773
Polar Surface Area
48.14
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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