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Compound 368
  CheckMol                        TMF02:r0:m0
MF=C15H13NO2S MW=271.33
 19 21  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7463    1.3150   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7700    1.3150   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3150   -0.7463   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2913   -0.7463   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4808   -2.2271   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7010   -0.1185   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2794   -2.2390   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5825    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9616   -2.5233   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.4857   -3.3289   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7198   -1.2202   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5707   -2.9853   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8738   -0.7345   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.4355   -3.9449   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.9596   -4.7504   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8619   -2.2271   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4404   -5.0466   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1532   -2.9735   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6 01  0  1  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  2  0  0
  6 11 01  0  1  0  0
  7 12 02  0  1  0  0
  8 13 01  0  1  0  0
  9 14 02  0  1  0  0
 10 15 01  0  1  0  0
 11 16 02  0  1  0  0
 13 17 02  0  1  0  0
 15 18 02  0  1  0  0
 17 19  1  0  0  0  0
 10 12 01  0  1  0  0
 14 17 01  0  1  0  0
 16 18 01  0  1  0  0
M  END

N-tosylindole

₹ 0.00 0.00

Chemical Name - N-tosylindole
Mol Weight - 271.339
Smiles - Cc(cc1)ccc1S(n(cc1)c2c1cccc2)(=O)=O

Property Name	Property Value
Mol Name	N-tosylindole
Molweight	271.339
Monoisotopic Mass	271.066699
Clogp	2.2941
Clogs	-5.984
H Acceptors	3
Total Surface Area	197.66
Relative Psa	0.17935
Polar Surface Area	47.45
Druglikeness	-4.3427
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57895
Molecular Flexibility	0.41909
Molecular Complexity	0.79493
Fragments	1
Non H Atoms	19
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3 Atoms	2
Symmetric Atoms	3
Aromatic Nitrogens	1
Smiles	Cc(cc1)ccc1S(n(cc1)c2c1cccc2)(=O)=O
InChIKey	InChI=1S/C15H13NO2S/c1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3
InChI	JNRRPYFLDADLJW-UHFFFAOYSA-N

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N-tosylindole