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Compound 2
  CheckMol                        TMF02:r0:m0
MF=C8H6N2O MW=146.15
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851    0.7546   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5703    0.0118   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2734    2.2637   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8554    0.7664   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5585    3.0183   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0183   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8436    2.2755   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5467    4.5275   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5275   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2380    5.2938   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  2  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  9 11 02  0  1  0  0
  6  8 01  0  1  0  0
 10 11 01  0  1  0  0
M  END

1(2H)-phthalazinone

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Chemical Name - 1(2H)-phthalazinone
Mol Weight - 146.149
Smiles - O=C1NN=Cc2c1cccc2

Property Name	Property Value
Mol Name	1(2H)-phthalazinone
Molweight	146.149
Monoisotopic Mass	146.048013
Clogp	0.9409
Clogs	-2.635
H Acceptors	3
H Donors	1
Total Surface Area	113.73
Relative Psa	0.31663
Polar Surface Area	41.46
Druglikeness	4.4687
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Flexibility	0.15652
Molecular Complexity	0.70078
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Smiles	O=C1NN=Cc2c1cccc2
InChIKey	InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)
InChI	IJAPPYDYQCXOEF-UHFFFAOYSA-N

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1(2H)-phthalazinone