Chemical ID: 6509308

c1cc(cc(c1)S(=O)(=O)NNC(=N)N)[N+](=O)[O-]
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

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Experimental Annotations

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Descriptor Annotations

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