Molecule

ID:129951

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₈
Molecular Mass
411.79452
Exact Mass
407.8134217
Charge
0
InChI
InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2
InChIKey
OEJNXTAZZBRGDN-UHFFFAOYSA-N
Canonic Smiles
ClCC1(CCl)C(=C)C2(C(C1(Cl)C(C2Cl)Cl)(Cl)Cl)Cl
Isomeric Smiles
C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.7037554
LogD (pH = 7.4)
5.7037554
Log P
5.7037554
Molar Refractivity
80.5724
Polarizability
32.61028
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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