Chemical ID: 4219081

c1ccc2c(c1)C(=NS2(=O)=O)NCCO
Chemical ID:
4219081
Name [?]:
2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-yl)amino]ethanol
SMILES [?]:
c1ccc2c(c1)C(=NS2(=O)=O)NCCO
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H10N2O3S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.52866
Area:385.909
Solvation:-3.11907
Coulombic:-35.1031
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.253
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.38
LogP (Chemaxon):0.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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