Molecule

ID:84358

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁Cl₂NO₂
Molecular Mass
260.11654
Exact Mass
259.01668396
Charge
0
InChI
InChI=1S/C11H11Cl2NO2/c1-14(2)6-8(7-15)16-11-9(12)4-3-5-10(11)13/h3-7H,1-2H3
InChIKey
UUODUXLKNLHFSX-UHFFFAOYSA-N
Canonic Smiles
O=C/C(=C\N(C)C)/Oc1c(Cl)cccc1Cl
Isomeric Smiles
O(c1c(cccc1Cl)Cl)/C(=C/N(C)C)/C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4311736
LogD (pH = 7.4)
2.4553332
Log P
2.45565
Molar Refractivity
65.9074
Polarizability
25.015753
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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