Molecule

ID:84802

General Information
Structure
Molecular Formula
C₁₆H₁₄Cl₂O₂
Molecular Mass
309.18716
Exact Mass
308.03708505
Charge
0
InChI
InChI=1S/C16H14Cl2O2/c17-11-14-4-2-1-3-12(14)9-10-20-16(19)13-5-7-15(18)8-6-13/h1-8H,9-11H2
InChIKey
IQWIETJWPGBTHR-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccccc1CCOC(=O)c1ccc(cc1)Cl
Isomeric Smiles
O=C(c1ccc(cc1)Cl)OCCc1ccccc1CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1811438
LogD (pH = 7.4)
5.1811438
Log P
5.1811438
Molar Refractivity
82.1226
Polarizability
31.716066
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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