Molecule

ID:127673

General Information
Structure
MolImage
Molecular Formula
C₆Cl₆O
Molecular Mass
300.7816
Exact Mass
297.8080307
Charge
0
InChI
InChI=1S/C6Cl6O/c7-1-3(13)2(8)5(10)6(11,12)4(1)9
InChIKey
SLKWROUNLHVIIQ-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl)Cl
Isomeric Smiles
ClC1=C(Cl)C(Cl)(Cl)C(=C(Cl)C1=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8582006
LogD (pH = 7.4)
3.8582006
Log P
3.8582006
Molar Refractivity
59.353
Polarizability
22.240076
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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