Chemical ID: 5235453

CCC(C)NC1=NS(=O)(=O)c2c1cccc2
Chemical ID:
5235453
Name [?]:
9,9-dioxo-N-sec-butyl-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-amine
SMILES [?]:
CCC(C)NC1=NS(=O)(=O)c2c1cccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H14N2O2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.52398
Area:408.234
Solvation:-1.68186
Coulombic:-19.6372
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:238.307
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.33
LogP (Chemaxon):2.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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