ChemDB: Chemical Search
Download
Chemical ID: 6673619
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|