Chem Nn Dihydroxyethyl Meta Toluidine Sajjan

Compound 32
  CheckMol                        TMF02:r0:m0
MF=C9H13NO2 MW=167.21
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2910   -0.7343   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5820    0.0355   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2791   -2.2266   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9728   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5701   -2.9610   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4651   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3502   -2.2148   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583   -4.4533   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2436   -5.1994   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3620   -5.2113   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6649   -2.9610   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10 02  0  1  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10 01  0  1  0  0
M  END

N,N-Dihydroxyethyl Meta Toluidine

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Chemical Name - N,N-Dihydroxyethyl Meta Toluidine
Mol Weight - 167.207
Smiles - CCc(c(C)ccc1)c1N(O)O

Property Name	Property Value
Mol Name	N,N-Dihydroxyethyl Meta Toluidine
Molweight	167.207
Monoisotopic Mass	167.094629
Clogp	2.1644
Clogs	-3.099
H Acceptors	3
H Donors	2
Total Surface Area	134.54
Relative Psa	0.22112
Polar Surface Area	43.7
Druglikeness	-2.0242
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Shape Index	0.5
Molecular Flexibility	0.38115
Molecular Complexity	0.70808
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Symmetric Atoms	1
Smiles	CCc(c(C)ccc1)c1N(O)O
InChIKey	InChI=1S/C9H13NO2/c1-3-8-7(2)5-4-6-9(8)10(11)12/h4-6,11-12H,3H2,1-2H3
InChI	XFTYCBLIRVQTRM-UHFFFAOYSA-N

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N,N-Dihydroxyethyl Meta Toluidine