Molecule

ID:73736

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂O₃
Molecular Mass
277.14376
Exact Mass
276.03199967
Charge
0
InChI
InChI=1S/C12H14Cl2O3/c1-3-5-17-11-9(13)6-8(7-10(11)14)12(15)16-4-2/h6-7H,3-5H2,1-2H3
InChIKey
BAPOVASVXQHTOO-UHFFFAOYSA-N
Canonic Smiles
CCCOc1c(Cl)cc(cc1Cl)C(=O)OCC
Isomeric Smiles
O=C(c1cc(c(c(c1)Cl)OCCC)Cl)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.263279
LogD (pH = 7.4)
4.263279
Log P
4.263279
Molar Refractivity
68.1773
Polarizability
26.649338
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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