Chem 4 Nitro 2 Propoxy Aniline

Compound 31
  CheckMol                        TMF02:r0:m0
MF=C9H12N2O3 MW=196.21
 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
   -1.3052    0.7643   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3169    2.2694   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103    0.0353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9155    0.7878   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6221   -1.4463   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2207    0.0470   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9273   -2.1870   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5259    0.7996   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2324   -1.4345   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8310    0.0588   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5376   -2.1635   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1362    0.8113   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4414    0.0705   -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  1  0  0  0  0
  7 10 02  0  1  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 10 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

4-Nitro-2-Propoxy Aniline

₹ 0.00 0.00

Chemical Name - 4-Nitro-2-Propoxy Aniline
Mol Weight - 196.205
Smiles - CCCOc(cc(cc1)[N+]([O-])=O)c1N

Property Name	Property Value
Mol Name	4-Nitro-2-Propoxy Aniline
Molweight	196.205
Monoisotopic Mass	196.084793
Clogp	0.8514
Clogs	-2.74
H Acceptors	5
H Donors	1
Total Surface Area	155.23
Relative Psa	0.35876
Polar Surface Area	81.07
Druglikeness	-7.2813
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	low
Shape Index	0.64286
Molecular Flexibility	0.4917
Molecular Complexity	0.63634
Fragments	1
Non H Atoms	14
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Amines	1
Aromatic Amines	1
Acidic Oxygens	1
Smiles	CCCOc(cc(cc1)[N+]([O-])=O)c1N
InChIKey	InChI=1S/C9H12N2O3/c1-2-5-14-9-6-7(11(12)13)3-4-8(9)10/h3-4,6H,2,5,10H2,1H3
InChI	DXGYNRACFIAKQY-UHFFFAOYSA-N

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4-Nitro-2-Propoxy Aniline