Compound 80
  CheckMol                        TMF02:r0:m0
MF=C5H6N4O MW=138.13
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5103   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3215    2.2655   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2743    2.2655   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6312    1.5221   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    3.7758   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5604    1.5221   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5486    4.5309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8465    2.2773   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8347    3.7994   -0.0000 C   0 00  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
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 10 01  0  1  0  0
M  END

2D Structure

Pyrazinoicacidhydrazide

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Chemical Name - Pyrazinoicacidhydrazide
Mol Weight - 138.13
Smiles - NNC(c1nccnc1)=O

Property Name	Property Value
Mol Name	Pyrazinoicacidhydrazide
Molweight	138.13
Monoisotopic Mass	138.054161
Clogp	-1.965
Clogs	-0.416
H Acceptors	5
H Donors	2
Total Surface Area	108.51
Relative Psa	0.5687
Polar Surface Area	80.9
Druglikeness	-5.7809
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.44057
Molecular Complexity	0.65917
Fragments	1
Non H Atoms	10
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Aromatic Nitrogens	2
Smiles	NNC(c1nccnc1)=O
InChIKey	InChI=1S/C5H6N4O/c6-9-5(10)4-3-7-1-2-8-4/h1-3H,6H2,(H,9,10)
InChI	OHFIJHDYYOCZME-UHFFFAOYSA-N

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