Compound 29
  CheckMol                        TMF02:r0:m0
MF=C10H18N2O7 MW=278.26
 19 18  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    1.3145   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    2.6290   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2382    1.3263   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7303    1.3382   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4803    2.6408   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4803    0.0355   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2145    3.9553   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2145   -1.2553   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066    3.9672   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4566    5.2698   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448   -2.5461   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066   -1.2434   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0738    2.9369   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3883    2.1908   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7829    2.2027   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4001    0.6987   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7948    0.7105   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1093   -0.0355   -0.0000 N   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  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  1  0  0
 14 16  1  0  1  0  0
 15 17  1  0  1  0  0
 16 18  1  0  1  0  0
 17 19  1  0  1  0  0
 18 19  1  0  1  0  0
M  END

2D Structure

Piperazine Citrate

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Chemical Name - Piperazine Citrate
Mol Weight - 192.123
Smiles - OC(CC(O)=O)(CC(O)=O)C(O)=O.C1NCCNC1

Property Name	Property Value
Mol Name	Piperazine Citrate
Molweight	192.123
Monoisotopic Mass	192.027005
Clogp	-2.1297
Clogs	0.071
H Acceptors	7
H Donors	4
Total Surface Area	130.08
Relative Psa	0.70357
Polar Surface Area	132.13
Druglikeness	3.5617
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.53846
Molecular Flexibility	0.87486
Molecular Complexity	0.57762
Fragments	2
Non H Atoms	13
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	5
Sp3 Atoms	7
Symmetric Atoms	4
Acidic Oxygens	3
Smiles	OC(CC(O)=O)(CC(O)=O)C(O)=O.C1NCCNC1
InChIKey
InChI	C6H8O7.C4H10N2

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1 — Piperazine Citrate | 2 — Piperazine Citrate