Molecule

ID:80244

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₄NO₂
Molecular Mass
274.91622
Exact Mass
272.89178906
Charge
0
InChI
InChI=1S/C7H3Cl4NO2/c1-14-7(13)5-3(9)2(8)4(10)6(11)12-5/h1H3
InChIKey
RYIFDLNTADZCRH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
n1c(c(c(c(c1C(=O)OC)Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5812566
LogD (pH = 7.4)
3.5812566
Log P
3.5812566
Molar Refractivity
55.8349
Polarizability
21.921803
Polar Surface Area
39.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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