Chemical ID: 5555933

COC(=O)CN1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])O)SC1=O
Chemical ID:
5555933
Name [?]:
methyl 2-[5-[(4-hydroxy-3-nitro-phenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]acetate
SMILES [?]:
COC(=O)CN1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])O)SC1=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H10N2O7S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:2.17581
Area:508.858
Solvation:-10.5456
Coulombic:-71.8484
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:338.294
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:1.29
LogP (Chemaxon):1.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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