Molecule

ID:80327

General Information
Structure
MolImage
Molecular Formula
C₅Cl₅N
Molecular Mass
251.3252
Exact Mass
248.84733741
Charge
0
InChI
InChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey
DNDPLEAVNVOOQZ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
n1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.216151
LogD (pH = 7.4)
4.216151
Log P
4.216151
Molar Refractivity
50.0477
Polarizability
19.420816
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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