Chemical ID: 5545298

CCCN1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])Cl)SC1=Nc3ccccc3
Chemical ID:
5545298
Name [?]:
5-[(4-chloro-3-nitro-phenyl)methylene]-2-phenylimino-3-propyl-thiazolidin-4-one
SMILES [?]:
CCCN1C(=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:6.68695
Area:571.636
Solvation:-7.60396
Coulombic:-37.2379
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:401.867
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.41
LogP (Chemaxon):5.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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