ChemDB: Chemical Search
Download
Chemical ID: 6509308
Chemical ID:
6509308
Name [?]:
1-(3-nitrophenyl)sulfonylaminoguanidine
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NNC(=N)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H9N5O4S/c8-7(9)10-11-17(15,16)6-3-1-2-5(4-6)12(13)14/h1-4,11H,(H4,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,3,5,12,13,14,11,10,15,16,17,8,9,7/E:(8,9)(13,14)(15,16)/CRV:12.5,17.6/rA:17nCCCCCCSOONNCNNN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;w12;s12;s3;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9N5O4S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.80268 |
Area: | 426.448 |
Solvation: | -8.85851 |
Coulombic: | -54.9382 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 259.244 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 9 |
XLogP: | 1.12 |
LogP (Chemaxon): | 0.05 |
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 |
---|