Compound 83
  CheckMol                        TMF02:r0:m0
MF=C4H4N2O5 MW=160.09
 11 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
   -0.7621    1.3014   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0234    2.6027   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2627    1.3131   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7738    3.9041   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130    2.6144   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0469    5.2054   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2744    3.9158   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5137    2.6262   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0248    5.2171   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6262    2.9075   -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  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  5  7  2  0  0  0  0
  5  8  1  0  1  0  0
  6  9  2  0  0  0  0
  8 10  2  0  0  0  0
  6  8  1  0  1  0  0
M  END

2D Structure

Alloxan Monohydrate

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Chemical Name - Alloxan Monohydrate
Mol Weight - 142.07
Smiles - O=C(C(NC(N1)=O)=O)C1=O.O

Property Name	Property Value
Mol Name	Alloxan Monohydrate
Molweight	142.07
Monoisotopic Mass	142.001458
Clogp	-2.0483
Clogs	-0.662
H Acceptors	6
H Donors	2
Total Surface Area	93.92
Relative Psa	0.7994
Polar Surface Area	92.34
Druglikeness	-1.6302
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Shape Index	0.6
Molecular Flexibility	0.18669
Molecular Complexity	0.67346
Fragments	2
Non H Atoms	10
Non Ch Atoms	6
Electronegative Atoms	6
Rings Closures	1
Small Rings	1
Symmetric Atoms	3
Amides	2
Smiles	O=C(C(NC(N1)=O)=O)C1=O.O
InChIKey	InChI=1S/C4H2N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9;/h(H2,5,6,8,9,10);1H2
InChI	DSXMTJRUNLATRP-UHFFFAOYSA-N

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1 — Alloxan Monohydrate | 2 — Alloxan Monohydrate