Chemical ID: 4406616

c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
Chemical ID:
4406616
Name [?]:
9,9-dioxo-N-(2-pyridyl)-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-amine
SMILES [?]:
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H9N3O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.34124
Area:416.16
Solvation:-3.06275
Coulombic:-22.5313
Bond Count [?]
All:20
Single:11
Double:9
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:259.285
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.13
LogP (Chemaxon):2.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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