Chemical ID: 5537528

CCN1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])Br)SC1=Nc3cccc(c3)C(=O)O
Chemical ID:
5537528
Name [?]:
3-[5-[(4-bromo-3-nitro-phenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])Br)SC1=Nc3cccc(c3)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H14BrN3O5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:6.61355
Area:599.743
Solvation:-8.38003
Coulombic:-63.0954
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:476.302
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.84
LogP (Chemaxon):4.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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