Molecule

ID:18690

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c1-10-7-13(9-16)11(2)15(10)8-12-3-5-14-6-4-12/h3-7,9H,8H2,1-2H3
InChIKey
SNYOVWYDEUFGLX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)Cc1ccncc1)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)Cc1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6138395
LogD (pH = 7.4)
1.8897054
Log P
1.8952317
Molar Refractivity
65.0526
Polarizability
23.915277
Polar Surface Area
34.89
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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