Chem 22 Bis Hydroxymethyl 222 Nitrilotriethanol

Compound 13
  CheckMol                        TMF02:r0:m0
MF=C8H19NO5 MW=209.24
 14 13  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3053    0.7526   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6106    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9159    0.7644   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224   -1.4699   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224    1.5170   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9277    2.2696   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2212    0.0235   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9277   -2.2108   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3406    2.2813   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6459    3.0222   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5265    0.7761   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6576    4.5274   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8318    0.0353   -0.0000 O   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
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END

(2,2-Bis (Hydroxymethyl)-2,2’,2” Nitrilotrieth

₹ 0.00 0.00

Chemical Name - (2,2-Bis (Hydroxymethyl)-2,2’,2” Nitrilotriethanol)
Mol Weight - 209.241
Smiles - OCCN(CCO)C(CO)(CO)CO

Property Name	Property Value
Mol Name	(2,2-Bis (Hydroxymethyl)-2,2’,2” Nitrilotriethanol)
Molweight	209.241
Monoisotopic Mass	209.126324
Clogp	-2.8103
Clogs	1.341
H Acceptors	6
H Donors	5
Total Surface Area	162.28
Relative Psa	0.4255
Polar Surface Area	104.39
Druglikeness	-6.2112
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Shape Index	0.5
Molecular Flexibility	0.83712
Molecular Complexity	0.56122
Fragments	1
Non H Atoms	14
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	8
Sp3 Atoms	14
Symmetric Atoms	7
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	OCCN(CCO)C(CO)(CO)CO
InChIKey	InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
InChI	OWMVSZAMULFTJU-UHFFFAOYSA-N

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(2,2-Bis (Hydroxymethyl)-2,2’,2” Nitrilotrieth