Chemical ID: 6275707

COC(=O)c1ccc2c(c1)sc(=NC(=O)c3cc(ccc3[N+](=O)[O-])Cl)n2CC#C
Chemical ID:
6275707
Name [?]:
methyl 2-(5-chloro-2-nitro-benzoyl)imino-3-prop-2-ynyl-benzothiazole-6-carboxylate
SMILES [?]:
COC(=O)c1ccc2c(c1)sc(=NC(=O)c3cc(ccc3[N+](=O)[O-])Cl)n2CC#C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H12ClN3O5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:5.83018
Area:635.665
Solvation:-10.0614
Coulombic:-53.4164
Bond Count [?]
All:31
Single:20
Double:10
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:429.835
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.44
LogP (Chemaxon):4.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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