Molecule

ID:30877

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c1-9-4-5-13(14-7-9)15-10(2)6-12(8-16)11(15)3/h4-8H,1-3H3
InChIKey
FEMPWCOWGBYEPQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)c1ccc(cn1)C)C
Isomeric Smiles
n1(c(cc(c1C)C=O)C)c1ncc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0914524
LogD (pH = 7.4)
2.1198256
Log P
2.1202
Molar Refractivity
75.8916
Polarizability
23.92708
Polar Surface Area
34.89
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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