Molecule
ID:111081
General Information
Molecular Formula
C₇H₃Cl₅
Molecular Mass
264.36372
Exact Mass
261.8677385
Charge
0
InChI
InChI=1S/C7H3Cl5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
InChIKey
AVSIMRGRHWKCAY-UHFFFAOYSA-N
Canonic Smiles
Clc1c(C)c(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.506891
LogD (pH = 7.4)
5.506891
Log P
5.506891
Molar Refractivity
55.1232
Polarizability
21.80442
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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
No Data Available
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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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