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Compound 32
  CheckMol                        TMF02:r0:m0
MF=C8H13NO3 MW=171.20
 12 12  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    1.5051   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0818    2.5751   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0348    2.5751   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.6452   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    5.1502   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2346    5.9028   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3522    5.9028   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6574    5.1620   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9284    3.8803   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9626    4.4330   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4100    6.4672   -0.0000 C   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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  4  5  1  0  1  0  0
M  END

1-Boc-3-Azetidinone

₹ 0.00 0.00

Chemical Name - 1-Boc-3-Azetidinone
Mol Weight - 171.195
Smiles - CC(C)(C)OC(N(C1)CC1=O)=O

Property Name	Property Value
Mol Name	1-Boc-3-Azetidinone
Molweight	171.195
Monoisotopic Mass	171.089544
Clogp	1.0111
Clogs	-1.259
H Acceptors	4
Total Surface Area	130.51
Relative Psa	0.30365
Polar Surface Area	46.61
Druglikeness	-31.848
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.50843
Molecular Complexity	0.55537
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	7
Symmetric Atoms	3
Amides	1
Smiles	CC(C)(C)OC(N(C1)CC1=O)=O
InChIKey	InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h4-5H2,1-3H3
InChI	VMKIXWAFFVLJCK-UHFFFAOYSA-N

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1-Boc-3-Azetidinone