Chemical ID: 4453698

CN1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])Cl)SC1=Nc3ccc(cc3)Cl
Chemical ID:
4453698
Name [?]:
5-[(4-chloro-3-nitro-phenyl)methylene]-2-(4-chlorophenyl)imino-3-methyl-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])Cl)SC1=Nc3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H11Cl2N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.32156
Area:578.184
Solvation:-8.13303
Coulombic:-35.5437
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:408.259
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.25
LogP (Chemaxon):5.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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