Molecule

ID:79335

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Cl₂O₃
Molecular Mass
261.1013
Exact Mass
260.00069954
Charge
0
InChI
InChI=1S/C11H10Cl2O3/c1-15-8-5-3-7(4-6-9(12)14)10(13)11(8)16-2/h3-6H,1-2H3
InChIKey
LUJOUFWJHFXYKV-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)ccc(c1Cl)/C=C/C(=O)Cl
Isomeric Smiles
O=C(/C=C/c1c(c(c(cc1)OC)OC)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.958118
LogD (pH = 7.4)
2.958118
Log P
2.958118
Molar Refractivity
64.6496
Polarizability
24.624357
Polar Surface Area
35.53
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
No Data Available
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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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