Chemical ID: 5625937

CN1C(=O)C(=Cc2ccc(c(c2)OC)Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])SC1=S
Chemical ID:
5625937
Name [?]:
5-[[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(c(c2)OC)Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])SC1=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H13N3O7S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:-1.15263
Area:632.354
Solvation:-16.9615
Coulombic:-50.1187
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:447.444
H-Bond Donors:0
H-Bond Acceptors:10
XLogP:2.49
LogP (Chemaxon):3.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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