Compound 4
  CheckMol                        TMF02:r0:m0
MF=C8H11NO2 MW=153.18
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3096   -0.7433   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2860   -0.7433   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214   -2.2299   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6192    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354   -2.9732   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310   -2.9614   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9288   -0.7079   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2506   -2.2181   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9406   -2.2063   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2384    0.0590   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6  1  0  0  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10 02  0  1  0  0
  8 11  1  0  0  0  0
  8 10 01  0  1  0  0
M  END

2D Structure

3,4 Dimethoxyaniline

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Chemical Name - 3,4 Dimethoxyaniline
Mol Weight - 153.18
Smiles - COc(ccc(N)c1)c1OC

Property Name	Property Value
Mol Name	3,4 Dimethoxyaniline
Molweight	153.18
Monoisotopic Mass	153.078979
Clogp	0.8423
Clogs	-1.728
H Acceptors	3
H Donors	1
Total Surface Area	126.3
Relative Psa	0.27926
Polar Surface Area	44.48
Druglikeness	-1.7412
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.039409
Molecular Complexity	0.69315
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Amines	1
Aromatic Amines	1
Smiles	COc(ccc(N)c1)c1OC

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1 — 3,4 Dimethoxyaniline | 2 — 3,4 Dimethoxyaniline