Chemical ID: 4788111

c1ccc(c(c1)N2C(=O)C(=Cc3ccc(c(c3)[N+](=O)[O-])SC4CCCCC4)SC2=S)Cl
Chemical ID:
4788111
Name [?]:
3-(2-chlorophenyl)-5-[(4-cyclohexylsulfanyl-3-nitro-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N2C(=O)C(=Cc3ccc(c(c3)[N+](=O)[O-])SC4CCCCC4)SC2=S)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19ClN2O3S3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.03992
Area:670.478
Solvation:-7.72203
Coulombic:-32.9562
Bond Count [?]
All:34
Single:24
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:491.049
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.13
LogP (Chemaxon):6.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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