Compound 57
  CheckMol                        TMF02:r0:m0
MF=C12H14N4O4S MW=310.33
 21 22  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339    1.3139   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7576    1.3139   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2903   -0.7339   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139   -0.7339   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5805    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6279    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3258   -2.2254   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5687    1.5388   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8708   -0.7102   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9418   -0.6984   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6397   -2.9593   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8589    2.2964   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8589   -2.2017   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1610    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9536   -2.1899   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1492    1.5625   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.1492   -2.9356   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4513   -0.6984   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2676   -2.9238   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4394   -2.1899   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7 02  0  1  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  6 10 01  0  1  0  0
  7 11 01  0  1  0  0
  8 12 02  0  1  0  0
  9 13 01  0  1  0  0
 10 14  1  0  0  0  0
 10 15 02  0  1  0  0
 11 16 02  0  1  0  0
 13 17 02  0  1  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 12 16 01  0  1  0  0
 15 17 01  0  1  0  0
M  END

2D Structure

Sulphadoxine

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Chemical Name - Sulphadoxine
Mol Weight - 310.333
Smiles - COc(c(NS(c(cc1)ccc1N)(=O)=O)ncn1)c1OC

Property Name	Property Value
Mol Name	Sulphadoxine
Molweight	310.333
Monoisotopic Mass	310.073576
Clogp	0.281
Clogs	-3.107
H Acceptors	8
H Donors	2
Total Surface Area	223.62
Relative Psa	0.43489
Polar Surface Area	124.81
Druglikeness	1.9652
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.51487
Molecular Complexity	0.77994
Fragments	1
Non H Atoms	21
Non Ch Atoms	9
Electronegative Atoms	9
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	5
Symmetric Atoms	3
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
Smiles	COc(c(NS(c(cc1)ccc1N)(=O)=O)ncn1)c1OC
InChIKey	InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
InChI	PJSFRIWCGOHTNF-UHFFFAOYSA-N

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1 — Sulphadoxine | 2 — Sulphadoxine