Compound 63
  CheckMol                        TMF02:r0:m0
MF=C15H13N3O2S MW=299.35
 21 23  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4951    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7713   -1.2934   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2426    1.3290   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2426   -1.2815   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2901   -1.2815   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0356   -2.5867   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7377    1.3408   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7377   -1.2696   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0614   -2.5749   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.8069   -3.8801   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.7344    2.4681   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.4734    0.0475   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3257   -3.8682   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.0990    1.8629   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.9329    0.3678   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    7.3924    2.6223   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6857    1.8748   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6739    0.3797   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9791    2.6342   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2725    1.8867   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  3  6 02  0  1  0  0
  3  7 01  0  1  0  0
  4  8 01  0  1  0  0
  5  9 02  0  1  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12 01  0  1  0  0
  8 13 02  0  2  0  0
 10 14 02  0  1  0  0
 12 15 01  0  1  0  0
 13 16 01  0  1  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 13 01  0  1  0  0
 11 14 01  0  1  0  0
 15 16 02  0  1  0  0
M  END

2D Structure

Fenbendazole

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Chemical Name - Fenbendazole
Mol Weight - 299.353
Smiles - COC(Nc1nc(ccc(Sc2ccccc2)c2)c2[nH]1)=O

Property Name	Property Value
Mol Name	Fenbendazole
Molweight	299.353
Monoisotopic Mass	299.072847
Clogp	3.3567
Clogs	-4.541
H Acceptors	5
H Donors	2
Total Surface Area	224.91
Relative Psa	0.34214
Polar Surface Area	92.31
Druglikeness	-2.8457
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.33509
Molecular Complexity	0.75032
Fragments	1
Non H Atoms	21
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3 Atoms	3
Symmetric Atoms	2
Amides	1
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	COC(Nc1nc(ccc(Sc2ccccc2)c2)c2[nH]1)=O
InChIKey	InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
InChI	HDDSHPAODJUKPD-UHFFFAOYSA-N

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1 — Fenbendazole | 2 — Fenbendazole