Chemical ID: 4094006

CC(C)N1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])Cl)SC1=Nc3ccccc3
Chemical ID:
4094006
Name [?]:
5-[(4-chloro-3-nitro-phenyl)methylene]-3-isopropyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CC(C)N1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])Cl)SC1=Nc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16ClN3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.71602
Area:567.944
Solvation:-7.48259
Coulombic:-37.0802
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:401.867
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.51
LogP (Chemaxon):5.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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