Molecule

ID:59385

General Information
Structure
MolImage
Molecular Formula
C₄H₅Cl₃O
Molecular Mass
175.4409
Exact Mass
173.94059782
Charge
0
InChI
InChI=1S/C4H5Cl3O/c5-3-4(6,7)1-2-8-3/h3H,1-2H2
InChIKey
OPMAAFQNIDDDAS-UHFFFAOYSA-N
Canonic Smiles
ClC1OCCC1(Cl)Cl
Isomeric Smiles
O1C(C(CC1)(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6203587
LogD (pH = 7.4)
2.6203587
Log P
2.6203587
Molar Refractivity
34.5678
Polarizability
13.829808
Polar Surface Area
9.23
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
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References
Bioactivity
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