Chemical ID: 4446698

COc1ccc(cc1[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)c3cccc(c3)Cl
Chemical ID:
4446698
Name [?]:
3-(3-chlorophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
COc1ccc(cc1[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)c3cccc(c3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H11ClN2O5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:3.37871
Area:572.313
Solvation:-10.9291
Coulombic:-45.3492
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:390.798
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.45
LogP (Chemaxon):3.97

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Descriptor Annotations

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