Chem Phenylhydrazine Sulphate

Compound 111
  CheckMol                        TMF02:r0:m0
MF=C6H10N2O4S MW=206.22
 13 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1542   -0.9540   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898   -0.4947   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4134    0.5182   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2709    1.4840   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4650   -1.9787   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1812   -2.7207   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4768   -0.4711   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1930    0.2827   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.7842    0.2827   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.2048    1.7903   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.7959    1.7903   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.5121    2.5558   -0.0000 C   0 00  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
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9 02  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
 10 12 02  0  1  0  0
 11 13 02  0  1  0  0
 12 13 01  0  1  0  0
M  END

Phenylhydrazine sulphate

₹ 0.00 0.00

Chemical Name - Phenylhydrazine sulphate
Mol Weight - 108.144
Smiles - NNc1ccccc1.OS(O)(=O)=O

Property Name	Property Value
Mol Name	Phenylhydrazine sulphate
Molweight	108.144
Monoisotopic Mass	108.068748
Clogp	1.6221
Clogs	-1.41
H Acceptors	2
H Donors	2
Total Surface Area	93.24
Relative Psa	0.28668
Polar Surface Area	38.05
Druglikeness	-4.4454
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.75
Molecular Flexibility	0.30873
Molecular Complexity	0.54931
Fragments	2
Non H Atoms	8
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	2
Smiles	NNc1ccccc1.OS(O)(=O)=O
InChIKey	InChI=1S/C6H8N2.H2O4S/c7-8-6-4-2-1-3-5-6;1-5(2,3)4/h1-5,8H,7H2;(H2,1,2,3,4)
InChI	YUWVDIIHTJLPRI-UHFFFAOYSA-N

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Phenylhydrazine sulphate