Molecule

ID:90841

General Information
Structure
MolImage
Molecular Formula
C₉Cl₇N
Molecular Mass
370.274
Exact Mass
366.78504277
Charge
0
InChI
InChI=1S/C9Cl7N/c10-3-1-2(4(11)7(14)6(3)13)8(15)17-9(16)5(1)12
InChIKey
BYFJWFNAVPMYST-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(c1Cl)c(Cl)c(c(c2Cl)Cl)Cl
Isomeric Smiles
n1c(c2c(c(c(c(c2c(c1Cl)Cl)Cl)Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.4137173
LogD (pH = 7.4)
6.4137173
Log P
6.4137173
Molar Refractivity
76.1075
Polarizability
30.636591
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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