Molecule

ID:17050

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₃
Molecular Mass
254.66964
Exact Mass
254.0458199
Charge
0
InChI
InChI=1S/C11H11ClN2O3/c1-2-14-8-4-3-7(13-10(15)6-12)5-9(8)17-11(14)16/h3-5H,2,6H2,1H3,(H,13,15)
InChIKey
MOXIZUOIEDHYCB-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc2c(c1)oc(=O)n2CC
Isomeric Smiles
c12c(cc(cc2)NC(=O)CCl)oc(=O)n1CC
Calculated Properties
JChem
Acid pKa
13.115191
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3275548
LogD (pH = 7.4)
1.327554
Log P
1.3275548
Molar Refractivity
63.7449
Polarizability
23.800592
Polar Surface Area
58.64
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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