Chem 3 Nitro Phthalimide Clarion

Compound 21
  CheckMol                        TMF02:r0:m0
MF=C8H4N2O4 MW=192.13
 14 15  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116    0.7562   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3234    2.2687   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6232    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6350   -1.4770   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9348    0.7799   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.5361   -2.4696   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9466   -2.2096   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2464    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0827   -2.1506   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1624   -3.8285   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6512   -3.6630   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2582   -1.4416   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6674   -4.7620   -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 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  1  0  0
  5  8 01  0  2  0  0
  6  9 02  0  1  0  0
  7 10  2  0  0  0  0
  7 11  1  0  1  0  0
  8 12  1  0  1  0  0
  8 13 02  0  1  0  0
 12 14  2  0  0  0  0
  9 13 01  0  1  0  0
 11 12  1  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

3-Nitro Phthalimide

₹ 0.00 0.00

Chemical Name - 3-Nitro Phthalimide
Mol Weight - 192.13
Smiles - [O-][N+](c(cccc1C(N2)=O)c1C2=O)=O

Property Name	Property Value
Mol Name	3-Nitro Phthalimide
Molweight	192.13
Monoisotopic Mass	192.017108
Clogp	-0.1809
Clogs	-2.447
H Acceptors	6
H Donors	1
Total Surface Area	130.39
Relative Psa	0.52121
Polar Surface Area	91.99
Druglikeness	-3.6494
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.24564
Molecular Complexity	0.8075
Fragments	1
Non H Atoms	14
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Amides	1
Acidic Oxygens	1
Smiles	[O-][N+](c(cccc1C(N2)=O)c1C2=O)=O
InChIKey	InChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)8(12)9-7/h1-3H,(H,9,11,12)
InChI	BONIIQYTWOPUQI-UHFFFAOYSA-N

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3-Nitro Phthalimide