Chemical ID: 5842836

COc1cc(cc(c1O)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)Cc3ccccc3F
Chemical ID:
5842836
Name [?]:
3-[(2-fluorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
COc1cc(cc(c1O)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)Cc3ccccc3F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H13FN2O6S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:1.84392
Area:562.781
Solvation:-12.2256
Coulombic:-64.6496
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:404.37
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.37
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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