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Compound 65
  CheckMol                        TMF02:r0:m0
MF=C17H15N3O6 MW=357.32
 26 27  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2926    0.7589   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852    0.0119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807    2.2768   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5733   -1.4823   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8778    0.7708   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5733    3.0358   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8659   -2.2294   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570   -2.2176   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8659    2.2887   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1585    3.0477   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    2.3006   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436    3.0595   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7318    4.5774   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0362    2.3243   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0244    5.3364   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3288    3.0832   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3170    4.5893   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   11.6095    5.3482   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5977    6.8661   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9021    4.6130   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1947    5.3719   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4873    4.6367   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7799    5.3956   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7680    6.9135   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0725    4.6604   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  0  0  0
  3  6  2  0  1  0  0
  4  7  2  0  1  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  1  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14 02  0  1  0  0
 13 15 01  0  1  0  0
 14 16 01  0  1  0  0
 15 17 02  0  1  0  0
 16 18 02  0  1  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7 10  1  0  1  0  0
 17 18 01  0  1  0  0
M  END

Balsalazide

₹ 0.00 0.00

Chemical Name - Balsalazide
Mol Weight - 357.321
Smiles - OC(CCNC(c(cc1)ccc1N/N=C(/C=C1)C=C(C(O)=O)C1=O)=O)=O

Property Name	Property Value
Mol Name	Balsalazide
Molweight	357.321
Monoisotopic Mass	357.096087
Clogp	1.5195
Clogs	-1.856
H Acceptors	9
H Donors	4
Total Surface Area	268.08
Relative Psa	0.42073
Polar Surface Area	145.16
Druglikeness	3.8662
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.65385
Molecular Flexibility	0.47039
Molecular Complexity	0.73284
Fragments	1
Non H Atoms	26
Non Ch Atoms	9
Electronegative Atoms	9
Rotatable Bonds	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	2
Amides	1
Acidic Oxygens	2
Smiles	OC(CCNC(c(cc1)ccc1N/N=C(/C=C1)C=C(C(O)=O)C1=O)=O)=O
InChIKey
InChI	C17H15N3O6

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Balsalazide