Chemical ID: 6673619

c1ccc2c(c1)C(=NS2(=O)=O)[O-]
Chemical ID:
6673619
Name [?]:
9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-olate
SMILES [?]:
c1ccc2c(c1)C(=NS2(=O)=O)[O-]
InChi [?]:
InChI=1/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,12,10,11,9/E:(10,11)/CRV:12.6/rA:12nCCCCCCCNSOOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;d9;d9;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4NO3S-
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-33.558
Area:313.34
Solvation:-41.3915
Coulombic:5.02407
Bond Count [?]
All:13
Single:7
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:182.178
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.04
LogP (Chemaxon):0.85

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue