Chemical ID: 6845824

c1cc[nH+]c(c1)N=C2NC(=O)C(S2)Cc3cccc(c3)[N+](=O)[O-]
Chemical ID:
6845824
Name [?]:
5-[(3-nitrophenyl)methyl]-2-(1H-pyridin-2-ylimino)thiazolidin-4-one
SMILES [?]:
c1cc[nH+]c(c1)N=C2NC(=O)C(S2)Cc3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H13N4O3S+
All Atoms:36
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:-27.8749
Area:523.261
Solvation:-40.9564
Coulombic:-29.7083
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:329.355
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.93
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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