ChemDB: Chemical Search
Download
Chemical ID: 5439624
Chemical ID:
5439624
Name [?]:
2-methyl-5-nitro-benzenesulfonohydrazide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)NN)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H9N3O4S/c1-5-2-3-6(10(11)12)4-7(5)15(13,14)9-8/h2-4,9H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,6,2,5,7,12,11,13,14,15,9,10,8/E:(11,12)(13,14)/CRV:10.5,15.6/rA:15nCCCCCCCSOONNN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s5;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9N3O4S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.5827 |
Area: | 367.98 |
Solvation: | -7.61679 |
Coulombic: | -28.8603 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.23 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 0.25 |
LogP (Chemaxon): | 1.09 |
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 |
---|