Molecule

ID:101980

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₂
Molecular Mass
238.67024
Exact Mass
238.05090528
Charge
0
InChI
InChI=1S/C11H11ClN2O2/c1-8-2-4-9(5-3-8)15-7-10-13-11(6-12)16-14-10/h2-5H,6-7H2,1H3
InChIKey
JMIICLSRTGZOQN-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)COc1ccc(cc1)C
Isomeric Smiles
n1c(noc1CCl)COc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0787666
LogD (pH = 7.4)
3.0787666
Log P
3.0787666
Molar Refractivity
61.4957
Polarizability
23.033323
Polar Surface Area
48.15
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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