Molecule

ID:78251

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₅
Molecular Mass
264.36372
Exact Mass
261.8677385
Charge
0
InChI
InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKey
ATYLRBXENHNROH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)C(Cl)(Cl)Cl
Isomeric Smiles
ClC(c1cc(c(cc1)Cl)Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6792436
LogD (pH = 7.4)
4.6792436
Log P
4.6792436
Molar Refractivity
56.1457
Polarizability
21.678759
Polar Surface Area
0.0
Rotatable Bonds
1
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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