Chemical ID: 6245566

c1cc2c(cc1c3nnc(o3)NC(=O)c4cc(ccc4[N+](=O)[O-])Cl)OCCO2
Chemical ID:
6245566
Name [?]:
5-chloro-N-[5-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-yl)-1,3,4-oxadiazol-2-yl]-2-nitro-benzamide
SMILES [?]:
c1cc2c(cc1c3nnc(o3)NC(=O)c4cc(ccc4[N+](=O)[O-])Cl)OCCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H11ClN4O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:3.12024
Area:589.438
Solvation:-11.6157
Coulombic:-59.1995
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.745
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.37
LogP (Chemaxon):2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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