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Compound 368
  CheckMol                        TMF02:r0:m0
MF=C18H14N6O2 MW=346.35
 26 28  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067   -0.7298   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -2.2131   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6133    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6251    1.5303   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9200   -0.7063   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9318    2.2837   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2267    0.0471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2384    1.5421   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5451    2.2955   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8518    1.5656   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1584    2.3190   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4651    1.5892   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.7717    2.3543   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.4769    0.1059   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -13.0784    1.6245   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.7835   -0.6239   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -13.0902    0.1413   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -14.3968   -0.5886   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7035    0.1766   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0102   -0.5533   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -18.3168    0.2119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -17.0219   -2.0365   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -19.6235   -0.5297   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -18.3286   -2.7664   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -19.6353   -2.0130   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  3  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  3  0  0  0
 20 21  1  0  0  0  0
 21 22 02  0  1  0  0
 21 23 01  0  1  0  0
 22 24 01  0  1  0  0
 23 25 02  0  1  0  0
 24 26 02  0  1  0  0
  8  9 01  0  1  0  0
 17 18 01  0  1  0  0
 25 26 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

Cadion

₹ 0.00 0.00

Chemical Name - Cadion
Mol Weight - 346.349
Smiles - [O-][N+](c(cc1)ccc1NN=Nc(cc1)ccc1N=Nc1ccccc1)=O

Property Name	Property Value
Mol Name	Cadion
Molweight	346.349
Monoisotopic Mass	346.117824
Clogp	6.6782
Clogs	-6.12
H Acceptors	8
H Donors	1
Total Surface Area	273.95
Relative Psa	0.32093
Polar Surface Area	107.29
Druglikeness	-9.8639
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Shape Index	0.73077
Molecular Flexibility	0.4367
Molecular Complexity	0.64597
Fragments	1
Non H Atoms	26
Non Ch Atoms	8
Electronegative Atoms	8
Rotatable Bonds	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	1
Symmetric Atoms	6
Acidic Oxygens	1
Smiles	[O-][N+](c(cc1)ccc1NN=Nc(cc1)ccc1N=Nc1ccccc1)=O
InChIKey	InChI=1S/C18H14N6O2/c25-24(26)18-12-10-17(11-13-18)22-23-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13H,(H,21,22)
InChI	SMMIDVLUFMPWFN-UHFFFAOYSA-N

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Cadion