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Compound 88
  CheckMol                        TMF02:r0:m0
MF=C25H34O6 MW=430.54
 31 35  0 15  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048    0.8977   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394    2.4096   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5749    0.2953   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2442    3.3073   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7797    1.1930   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    2.7049   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0789    4.8192   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    3.6026   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9845    2.1025   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2836    5.7168   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1893    3.0002   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6538    5.1145   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311    1.5119   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3941    3.8979   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586    6.0121   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2287    5.4097   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0003    7.5240   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2209    6.5437   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4808    4.9373   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4650    7.8548   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6856    6.8744   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0359    5.2916   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4572    8.9887   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8273    8.3863   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1973    3.9569   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4533    5.2562   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1266    9.1540   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975    3.9569   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4259    8.4099   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7252    9.1777   -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  2  0  1  0  0
  4  6  2  0  1  0  0
  5  7  1  0  2  0  0
  5  8  1  0  1  0  0
  7  9  1  0  1  0  0
  7 10  1  6  0  0  0
  8 11  1  0  1  0  0
  9 12  1  6  1  0  0
  9 13  1  0  2  0  0
 12 14  1  6  0  0  0
 12 15  1  0  1  0  0
 13 16  1  0  1  0  0
 15 17  1  0  1  0  0
 16 18  1  6  1  0  0
 17 19  1  0  1  0  0
 17 20  1  6  0  0  0
 18 21  1  0  1  0  0
 19 22  1  0  1  0  0
 19 23  1  6  0  0  0
 21 24  1  1  1  0  0
 22 25  1  0  1  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  6  7  1  0  1  0  0
 13 11  1  1  1  0  0
 16 17  1  0  2  0  0
 19 21  1  0  2  0  0
 24 25  1  0  1  0  0
M  END

Budesonide

₹ 0.00 0.00

Chemical Name - Budesonide
Mol Weight - 430.539
Smiles - CCCC(O[C@@H]1C[C@@H]([C@H](CC2)[C@H]3[C@@](C)(C=C4)C2=CC4=O)[C@]2(C)C[C@@H]3O)O[C@@]12C(CO)=O

Property Name	Property Value
Mol Name	Budesonide
Molweight	430.539
Monoisotopic Mass	430.23554
Clogp	2.0988
Clogs	-3.822
H Acceptors	6
H Donors	2
Total Surface Area	304.74
Relative Psa	0.23719
Polar Surface Area	93.06
Druglikeness	1.6963
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.48387
Molecular Flexibility	0.20347
Molecular Complexity	1.0659
Fragments	1
Non H Atoms	31
Non Ch Atoms	6
Electronegative Atoms	6
Stereo Centers	9
Rotatable Bonds	4
Rings Closures	5
Small Rings	5
Sp3 Atoms	23
Smiles	CCCC(O[C@@H]1C[C@@H]([C@H](CC2)[C@H]3[C@@](C)(C=C4)C2=CC4=O)[C@]2(C)C[C@@H]3O)O[C@@]12C(CO)=O
InChIKey
InChI	C25H34O6

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Budesonide