Molecule

ID:45437

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c1-19-12-5-3-4-10(8-12)15(18)17-13-9-11(16)6-7-14(13)20-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
FVKFTILQIYENPX-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
11.914519
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8776995
LogD (pH = 7.4)
1.9202766
Log P
1.9208621
Molar Refractivity
79.2183
Polarizability
29.113232
Polar Surface Area
73.58
Rotatable Bonds
4
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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