Chemical ID: 4788108

c1cc(ccc1Sc2ccc(cc2[N+](=O)[O-])C=C3C(=O)NC(=S)S3)Cl
Chemical ID:
4788108
Name [?]:
5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1Sc2ccc(cc2[N+](=O)[O-])C=C3C(=O)NC(=S)S3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H9ClN2O3S3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.26581
Area:588.975
Solvation:-7.45857
Coulombic:-36.2431
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:408.905
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.27
LogP (Chemaxon):5.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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