Chem Aniline 25 Disulphonic Acid Sajjan

Compound 39
  CheckMol                        TMF02:r0:m0
MF=C6H7NO6S2 MW=253.24
 15 15  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933    0.0119   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5170    0.0119   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    1.5170   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4933   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2799   -2.2399   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3274   -2.2281   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5717   -1.4814   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681   -3.7332   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3392   -3.7213   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4680   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0593   -5.9612   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5762   -5.9494   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -5.9494   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0711   -7.4545   -0.0000 O   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
  5  6 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  9 11 02  0  1  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 10 11 01  0  1  0  0
M  END

Aniline 2,5 Disulphonic Acid

₹ 0.00 0.00

Chemical Name - Aniline 2,5 Disulphonic Acid
Mol Weight - 253.255
Smiles - Nc(cc(cc1)S(O)(=O)=O)c1S(O)(=O)=O

Property Name	Property Value
Mol Name	Aniline 2,5 Disulphonic Acid
Molweight	253.255
Monoisotopic Mass	252.971479
Clogp	-3.4763
Clogs	1.096
H Acceptors	7
H Donors	3
Total Surface Area	151.64
Relative Psa	0.65042
Polar Surface Area	151.52
Druglikeness	-4.4698
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.53333
Molecular Flexibility	0.55083
Molecular Complexity	0.68745
Fragments	1
Non H Atoms	15
Non Ch Atoms	9
Electronegative Atoms	9
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	2
Amines	1
Aromatic Amines	1
Acidic Oxygens	2
Smiles	Nc(cc(cc1)S(O)(=O)=O)c1S(O)(=O)=O
InChIKey	InChI=1S/C6H7NO6S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)
InChI	LDCCBULMAFILCT-UHFFFAOYSA-N

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Aniline 2,5 Disulphonic Acid