Chemical ID: 6271095

COCCn1c2ccc(cc2sc1=NC(=O)c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6271095
Name [?]:
N-[3-(2-methoxyethyl)-6-nitro-benzothiazol-2-ylidene]-4-nitro-benzamide
SMILES [?]:
COCCn1c2ccc(cc2sc1=NC(=O)c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14N4O6S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:0.30304
Area:589.653
Solvation:-14.4383
Coulombic:-53.6038
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:402.382
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:3.2
LogP (Chemaxon):4.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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