Chemical ID: 4732244

c1ccc(c(c1)c2c(c(ns2)Cl)c3[nH]ncn3)Cl
Chemical ID:
4732244
Name [?]:
3-[3-chloro-5-(2-chlorophenyl)-isothiazol-4-yl]-2H-1,2,4-triazole
SMILES [?]:
c1ccc(c(c1)c2c(c(ns2)Cl)c3[nH]ncn3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H6Cl2N4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.01789
Area:429.748
Solvation:-1.72581
Coulombic:-20.6655
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:297.164
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.47
LogP (Chemaxon):3.33

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Experimental Annotations

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Descriptor Annotations

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