Chem Tolyltriazole Sodium Salt

Compound 22
  CheckMol                        TMF02:r0:m0
MF=C9H10N3Na MW=183.19
 13 13  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8009   -3.2947   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2716   -1.8592   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3183   -3.2830   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0713   -0.9649   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8711   -1.8474   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0831    0.5413   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3892    1.3061   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8005    1.2944   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4010    2.8123   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6953    0.5766   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8123    2.8005   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1184    3.5654   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  7  8 02  0  1  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  8 11  1  0  0  0  0
  9 12 02  0  1  0  0
 10 13 02  0  1  0  0
  5  6 02  0  1  0  0
 12 13 01  0  1  0  0
M  END

Tolyltriazole Sodium Salt

₹ 0.00 0.00

Chemical Name - Tolyltriazole Sodium Salt
Mol Weight - 159.191
Smiles - Cc(cccc1)c1-c1c[nH]nn1.[Na]

Property Name	Property Value
Mol Name	Tolyltriazole Sodium Salt
Molweight	159.191
Monoisotopic Mass	159.079647
Clogp	1.2929
Clogs	-2.3
H Acceptors	3
H Donors	1
Total Surface Area	132.37
Relative Psa	0.27144
Polar Surface Area	41.57
Druglikeness	-3.6308
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.35136
Molecular Complexity	0.67089
Fragments	2
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	1
Aromatic Nitrogens	3
Smiles	Cc(cccc1)c1-c1c[nH]nn1.[Na]
InChIKey	InChI=1S/C9H9N3.Na.H/c1-7-4-2-3-5-8(7)9-6-10-12-11-9;;/h2-6H,1H3,(H,10,11,12);;
InChI	UBUOTLJZSLNFCT-UHFFFAOYSA-N

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Tolyltriazole Sodium Salt