Molecule

ID:22846

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₃
Molecular Mass
306.7442
Exact Mass
306.07712003
Charge
0
InChI
InChI=1S/C15H15ClN2O3/c1-20-14-7-6-10(17)8-12(14)18-15(19)9-21-13-5-3-2-4-11(13)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
MBLQUEILFJPSDA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)COc1ccccc1Cl)N
Isomeric Smiles
c1(NC(=O)COc2c(Cl)cccc2)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.565959
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.3103306
LogD (pH = 7.4)
2.3448205
Log P
2.345307
Molar Refractivity
82.8515
Polarizability
31.049755
Polar Surface Area
73.58
Rotatable Bonds
5
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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