Molecule

ID:20138

General Information
Structure
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c1-10(17)16-12-3-2-4-14(9-12)18-13-7-5-11(15)6-8-13/h2-9H,15H2,1H3,(H,16,17)
InChIKey
OLXMEIJWSTVOJG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)Oc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1cc(Oc2ccc(N)cc2)ccc1)C
Calculated Properties
JChem
Acid pKa
13.915489
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8567773
LogD (pH = 7.4)
1.8819861
Log P
1.8823174
Molar Refractivity
71.8622
Polarizability
26.672369
Polar Surface Area
64.35
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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