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Chemical ID: 4931041
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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