Chemical ID: 3968830

CCS(=O)(=O)CCn1c(ncc1[N+](=O)[O-])C
Chemical ID:
3968830
Name [?]:
1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole
SMILES [?]:
CCS(=O)(=O)CCn1c(ncc1[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H13N3O4S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:1.85013
Area:411.237
Solvation:-8.43081
Coulombic:-26.0073
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:247.273
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.62
LogP (Chemaxon):-0.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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