Chemical ID: 6278130

COC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3coc4ccccc4c3=O)[N+](=O)[O-]
Chemical ID:
6278130
Name [?]:
methyl 2-[6-nitro-2-(4-oxochromen-3-yl)carbonylimino-benzothiazol-3-yl]acetate
SMILES [?]:
COC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3coc4ccccc4c3=O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H13N3O7S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:4.16881
Area:603.839
Solvation:-10.9272
Coulombic:-65.7983
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:439.399
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.89
LogP (Chemaxon):4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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