Chemical ID: 6269096

c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2nc(cs2)c3ccc4c(c3)OCCO4
Chemical ID:
6269096
Name [?]:
N-[4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)thiazol-2-yl]-3-nitro-benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2nc(cs2)c3ccc4c(c3)OCCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H13N3O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:4.94542
Area:584.758
Solvation:-9.67353
Coulombic:-54.4049
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:383.379
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.22
LogP (Chemaxon):3.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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