Chem Trishydroxymethylnitromethane

Compound 13
  CheckMol                        TMF02:r0:m0
MF=C4H9NO5 MW=151.12
 10  9  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098   -0.7316   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216   -2.2183   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6195    0.0236   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3334    0.7788   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6313   -1.4632   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9293    0.7788   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3452    2.2891   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9411   -2.1947   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2391    0.0472   -0.0000 O   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  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

Tris(Hydroxymethyl)nitromethane

₹ 0.00 0.00

Chemical Name - Tris(Hydroxymethyl)nitromethane
Mol Weight - 151.117
Smiles - [O-][N+](C(CO)(CO)CO)=O

Property Name	Property Value
Mol Name	Tris(Hydroxymethyl)nitromethane
Molweight	151.117
Monoisotopic Mass	151.048074
Clogp	-2.5948
Clogs	0.13
H Acceptors	6
H Donors	3
Total Surface Area	107.91
Relative Psa	0.64609
Polar Surface Area	106.51
Druglikeness	-10.231
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.89239
Molecular Complexity	0.57565
Fragments	1
Non H Atoms	10
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	4
Sp3 Atoms	8
Symmetric Atoms	4
Acidic Oxygens	1
Smiles	[O-][N+](C(CO)(CO)CO)=O
InChIKey	InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2
InChI	OLQJQHSAWMFDJE-UHFFFAOYSA-N

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1 - Tris(Hydroxymethyl)nitromethane
2 - Tris(Hydroxymethyl)nitromethane

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Tris(Hydroxymethyl)nitromethane