Compound 116
  CheckMol                        TMF02:r0:m0
MF=C8H6KNO2 MW=187.24
 12 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8477   -0.5673   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3586   -0.6619   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5785   -1.9265   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4012    0.5082   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1248   -1.5483   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0184   -0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.6258    2.0092   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9784   -2.5056   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8484    0.8864   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.4557    2.9429   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0729    2.3874   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  6  9  2  0  0  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
 10 12 02  0  1  0  0
  6  7  1  0  1  0  0
 11 12 01  0  1  0  0
M  END

2D Structure

Potassium Phthalimide

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Chemical Name - Potassium Phthalimide
Mol Weight - 147.133
Smiles - O=C(c1c2cccc1)NC2=O.[K]

Property Name	Property Value
Mol Name	Potassium Phthalimide
Molweight	147.133
Monoisotopic Mass	147.032029
Clogp	0.7407
Clogs	-1.987
H Acceptors	3
H Donors	1
Total Surface Area	106.72
Relative Psa	0.35176
Polar Surface Area	46.17
Druglikeness	1.53
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.54545
Molecular Complexity	0.72179
Fragments	2
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Symmetric Atoms	5
Amides	1
Smiles	O=C(c1c2cccc1)NC2=O.[K]
InChIKey	InChI=1S/C8H5NO2.K.H/c10-7-5-3-1-2-4-6(5)8(11)9-7;;/h1-4H,(H,9,10,11);;
InChI	VDKZTPQKHCWCTP-UHFFFAOYSA-N

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