Molecule

ID:89261

General Information
Structure
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Molecular Formula
C₇H₂Cl₄O
Molecular Mass
243.90218
Exact Mass
241.8859754
Charge
0
InChI
InChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
InChIKey
OZGSEIVTQLXWRO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)Cl)C(=O)Cl
Isomeric Smiles
O=C(c1c(cc(cc1Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9762924
LogD (pH = 7.4)
3.9762924
Log P
3.9762924
Molar Refractivity
51.5871
Polarizability
19.974146
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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