Molecule

ID:52257

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
InChIKey
LHMQDVIHBXWNII-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C(=O)Nc1ccccc1
Isomeric Smiles
C(=O)(c1cc(c(cc1)OC)N)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
14.219799
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0767128
LogD (pH = 7.4)
2.0785103
Log P
2.0785334
Molar Refractivity
72.7551
Polarizability
26.592783
Polar Surface Area
64.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation