Chem N Methyl 2 4 Nitrophenylacetamide Gmfine

Compound 18
  CheckMol                        TMF02:r0:m0
MF=C9H10N2O3 MW=194.19
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -0.7370   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2839   -2.2349   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5915    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5797    1.5454   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8873   -0.7133   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8754    2.3062   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1831    0.0476   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1712    1.5573   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4670    2.3181   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7628    1.5811   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7509    0.0832   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585    2.3419   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3543    1.6049   -0.0000 C   0  0  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  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8  9 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

N-Methyl-2-(4-nitrophenyl)acetamide

₹ 0.00 0.00

Chemical Name - N-Methyl-2-(4-nitrophenyl)acetamide
Mol Weight - 194.189
Smiles - CNC(Cc(cc1)ccc1[N+]([O-])=O)=O

Property Name	Property Value
Mol Name	N-Methyl-2-(4-nitrophenyl)acetamide
Molweight	194.189
Monoisotopic Mass	194.069143
Clogp	0.1749
Clogs	-2.046
H Acceptors	5
H Donors	1
Total Surface Area	152.16
Relative Psa	0.36094
Polar Surface Area	74.92
Druglikeness	-3.6823
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.71429
Molecular Flexibility	0.5722
Molecular Complexity	0.55303
Fragments	1
Non H Atoms	14
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	2
Amides	1
Acidic Oxygens	1
Smiles	CNC(Cc(cc1)ccc1[N+]([O-])=O)=O
InChIKey	InChI=1S/C9H10N2O3/c1-10-9(12)6-7-2-4-8(5-3-7)11(13)14/h2-5H,6H2,1H3,(H,10,12)
InChI	VTINDJIPKUJXNT-UHFFFAOYSA-N

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N-Methyl-2-(4-nitrophenyl)acetamide