Molecule

ID:86664

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO₃
Molecular Mass
286.11076
Exact Mass
284.99594851
Charge
0
InChI
InChI=1S/C12H9Cl2NO3/c1-6-9(12(16)17-2)11(15-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3
InChIKey
YPCASVCAZYPZOI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)Cl)c(c(o1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7819943
LogD (pH = 7.4)
3.7819946
Log P
3.7819946
Molar Refractivity
69.0488
Polarizability
27.289892
Polar Surface Area
52.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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