Chemical ID: 4931041

c1cc(cc(c1)S(=O)(=O)N=[N+]=[N-])[N+](=O)[O-]
Chemical ID:
4931041
Name [?]:
N-diazo-3-nitro-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)N=[N+]=[N-])[N+](=O)[O-]
InChi [?]:
InChI=1/C6H4N4O4S/c7-8-9-15(13,14)6-3-1-2-5(4-6)10(11)12/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,6,4,3,5,12,11,10,13,14,15,8,9,7/E:(11,12)(13,14)/CRV:8.5,10.5,15.6/rA:15nCCCCCCSOONN+N-N+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;d10;d11;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4N4O4S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-2.19425
Area:383.644
Solvation:-11.7853
Coulombic:-22.7264
Bond Count [?]
All:15
Single:7
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.187
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:0.19
LogP (Chemaxon):-0.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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