Chem 4 Amino 3 Nitro Phenyl Ethylsulfone Sajjan

Compound 38
  CheckMol                        TMF02:r0:m0
MF=C8H10N2O4S MW=230.24
 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
    0.7309    1.3085   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7544    1.3085   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3085   -0.7309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2849   -0.7309   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6170    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3203   -2.2162   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5698    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9255   -0.6955   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6288   -2.9471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2340    0.0707   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9373   -2.1808   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2458    1.5796   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5425   -0.6601   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458   -2.9117   -0.0000 N   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
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  9 11  1  0  0  0  0
  9 12 02  0  1  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 10 12 01  0  1  0  0
M  CHG  1  11   1
M  CHG  1  14  -1
M  END

4-Amino-3-Nitro-Phenyl Ethylsulfone

₹ 0.00 0.00

Chemical Name - 4-Amino-3-Nitro-Phenyl Ethylsulfone
Mol Weight - 230.243
Smiles - CCS(c(cc1)cc([N+]([O-])=O)c1N)(=O)=O

Property Name	Property Value
Mol Name	4-Amino-3-Nitro-Phenyl Ethylsulfone
Molweight	230.243
Monoisotopic Mass	230.036128
Clogp	-0.4403
Clogs	-2.801
H Acceptors	6
H Donors	1
Total Surface Area	160.05
Relative Psa	0.46404
Polar Surface Area	114.36
Druglikeness	-11.64
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Shape Index	0.53333
Molecular Flexibility	0.58112
Molecular Complexity	0.71485
Fragments	1
Non H Atoms	15
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Symmetric Atoms	1
Amines	1
Aromatic Amines	1
Acidic Oxygens	1
Smiles	CCS(c(cc1)cc([N+]([O-])=O)c1N)(=O)=O
InChIKey	InChI=1S/C8H10N2O4S/c1-2-15(13,14)6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3
InChI	NAELBNIEPRXPCO-UHFFFAOYSA-N

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4-Amino-3-Nitro-Phenyl Ethylsulfone