ChemDB: Chemical Search
Download
Chemical ID: 6471351
Chemical ID:
6471351
Name [?]:
N-(2-aminoethyl)-3-nitro-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NCCN)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H11N3O4S/c9-4-5-10-16(14,15)8-3-1-2-7(6-8)11(12)13/h1-3,6,10H,4-5,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,4,3,5,13,10,14,15,16,8,9,7/E:(12,13)(14,15)/CRV:11.5,16.6/rA:16nCCCCCCSOONCCNN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N3O4S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.40775 |
Area: | 419.139 |
Solvation: | -8.07072 |
Coulombic: | -33.9079 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 245.257 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | -0.14 |
LogP (Chemaxon): | -0.7 |
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 |
---|