Molecule

ID:105937

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
DDRCIGNRLHTTIW-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)c(cc1NC(=O)c1ccccc1)OC
Isomeric Smiles
COc1c(N)cc(OC)c(NC(=O)c2ccccc2)c1
Calculated Properties
JChem
Acid pKa
11.424649
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9159657
LogD (pH = 7.4)
1.9207611
Log P
1.9208621
Molar Refractivity
79.2183
Polarizability
29.114109
Polar Surface Area
73.58
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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