Chemical ID: 5145092

COc1cc(ccc1c2ccc(o2)C=C3C(=O)NC(=Nc4ccc(cc4)F)S3)[N+](=O)[O-]
Chemical ID:
5145092
Name [?]:
2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1c2ccc(o2)C=C3C(=O)NC(=Nc4ccc(cc4)F)S3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H14FN3O5S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:3.82908
Area:630.501
Solvation:-11.9335
Coulombic:-52.7763
Bond Count [?]
All:34
Single:22
Double:12
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:439.417
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.59
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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