Chemical ID: 6856531

c1cc(cc(c1)N2C(=O)C(=Cc3ccc(cc3)[N+](=O)[O-])SC2=S)C(=O)[O-]
Chemical ID:
6856531
Name [?]:
3-[5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate
SMILES [?]:
c1cc(cc(c1)N2C(=O)C(=Cc3ccc(cc3)[N+](=O)[O-])SC2=S)C(=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H9N2O5S2-
All Atoms:35
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-34.0137
Area:573.462
Solvation:-48.3502
Coulombic:-32.3881
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:385.396
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.3
LogP (Chemaxon):3.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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