Molecule

ID:78742

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₄N
Molecular Mass
230.90672
Exact Mass
228.90195982
Charge
0
InChI
InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
InChIKey
YTDHEFNWWHSXSU-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1Cl)N)Cl
Isomeric Smiles
Nc1c(c(cc(c1Cl)Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
16.642515
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.560496
LogD (pH = 7.4)
3.5604985
Log P
3.5604985
Molar Refractivity
49.9776
Polarizability
19.217875
Polar Surface Area
26.02
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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