Molecule

ID:28256

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂
Molecular Mass
227.68736
Exact Mass
227.07130637
Charge
0
InChI
InChI=1S/C11H14ClNO2/c1-8-7-9(15-2)3-4-10(8)13-11(14)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKey
RHRZNQDYJFZOBS-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)Nc1ccc(cc1C)OC
Isomeric Smiles
N(c1c(cc(cc1)OC)C)C(=O)CCCl
Calculated Properties
JChem
Acid pKa
14.923838
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3410628
LogD (pH = 7.4)
2.3410628
Log P
2.3410628
Molar Refractivity
61.878
Polarizability
23.171265
Polar Surface Area
38.33
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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