Molecule

ID:78748

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₅N
Molecular Mass
265.35178
Exact Mass
262.86298747
Charge
0
InChI
InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKey
KHCZSJXTDDHLGJ-UHFFFAOYSA-N
Canonic Smiles
Clc1c(N)c(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
Nc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
16.696814
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1645417
LogD (pH = 7.4)
4.164543
Log P
4.164543
Molar Refractivity
54.7824
Polarizability
21.250292
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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