Chem 24 Dinitrophenyl Hydrazine

Compound 35
  CheckMol                        TMF02:r0:m0
MF=C6H6N4O4 MW=198.14
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3077    0.7540   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3195    2.2620   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6154    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9231    0.7893   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6272   -1.4609   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9349    2.2973   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2308    0.0589   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9349   -2.1913   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2426    3.0631   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2426   -1.4255   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9467   -3.6757   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2544   -4.4062   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625   -4.4179   -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  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11 02  0  1  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  9 11 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  CHG  1  12   1
M  CHG  1  14  -1
M  END

2,4 Dinitrophenyl Hydrazine

₹ 0.00 0.00

Chemical Name - 2,4 Dinitrophenyl Hydrazine
Mol Weight - 198.138
Smiles - NNc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

Property Name	Property Value
Mol Name	2,4 Dinitrophenyl Hydrazine
Molweight	198.138
Monoisotopic Mass	198.038906
Clogp	-0.2211
Clogs	-2.33
H Acceptors	8
H Donors	2
Total Surface Area	140.58
Relative Psa	0.62292
Polar Surface Area	129.69
Druglikeness	-9.8627
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.4928
Molecular Complexity	0.69646
Fragments	1
Non H Atoms	14
Non Ch Atoms	8
Electronegative Atoms	8
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Acidic Oxygens	2
Smiles	NNc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O
InChIKey	InChI=1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2
InChI	HORQAOAYAYGIBM-UHFFFAOYSA-N

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2,4 Dinitrophenyl Hydrazine