Molecule

ID:74257

General Information
Structure
MolImage
Molecular Formula
C₉H₂Cl₄O₂
Molecular Mass
283.92298
Exact Mass
281.88089002
Charge
0
InChI
InChI=1S/C9H2Cl4O2/c10-6-4-2(14)1-3(15)5(4)7(11)9(13)8(6)12/h1H2
InChIKey
IDLAOWFFKWRNHB-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl
Isomeric Smiles
Clc1c(c(c(c2c1C(=O)CC2=O)Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
4.7434735
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7952838
LogD (pH = 7.4)
1.0756725
Log P
3.6202936
Molar Refractivity
59.7832
Polarizability
23.146662
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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