Chemical ID: 4528559

Cc1cc(ccc1[N+](=O)[O-])c2ccc(o2)C=C3C(=O)NC(=Nc4ccccc4Cl)S3
Chemical ID:
4528559
Name [?]:
2-(2-chlorophenyl)imino-5-[[5-(3-methyl-4-nitro-phenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])c2ccc(o2)C=C3C(=O)NC(=Nc4ccccc4Cl)S3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H14ClN3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.48405
Area:642.998
Solvation:-8.59089
Coulombic:-47.1387
Bond Count [?]
All:33
Single:21
Double:12
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:439.872
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.36
LogP (Chemaxon):5.69

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Experimental Annotations

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Descriptor Annotations

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