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Compound 41
  CheckMol                        TMF02:r0:m0
MF=C16H13N3O3 MW=295.30
 22 24  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5096   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2737    2.2644   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3209    2.2644   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5593    1.5214   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300    1.5214   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7951    0.0472   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0099    2.1465   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.2694   -0.2477   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0242    1.0496   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0359   -1.5332   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5338    1.0614   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5456   -1.5214   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.3004   -0.2241   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.8100   -0.2123   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5648    1.0968   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5766   -1.4978   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.0862   -1.4860   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.8453   -2.7833   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.8528   -2.7715   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.6119   -4.0689   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.1215   -4.0571   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7 02  0  1  0  0
  6  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  1  0  0
 12 14 02  0  1  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18 02  0  1  0  0
 17 19 01  0  1  0  0
 18 20 01  0  1  0  0
 19 21 02  0  1  0  0
 20 22 02  0  1  0  0
  9 10 02  0  2  0  0
 13 14 01  0  1  0  0
 21 22 01  0  1  0  0
M  END

Mebendazole

₹ 0.00 0.00

Chemical Name - Mebendazole
Mol Weight - 295.297
Smiles - COC(Nc1nc(ccc(C(c2ccccc2)=O)c2)c2[nH]1)=O

Property Name	Property Value
Mol Name	Mebendazole
Molweight	295.297
Monoisotopic Mass	295.095692
Clogp	2.6656
Clogs	-4.855
H Acceptors	6
H Donors	2
Total Surface Area	225.17
Relative Psa	0.32198
Polar Surface Area	84.08
Druglikeness	-2.7375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.38046
Molecular Complexity	0.77749
Fragments	1
Non H Atoms	22
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3 Atoms	2
Symmetric Atoms	2
Amides	1
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	COC(Nc1nc(ccc(C(c2ccccc2)=O)c2)c2[nH]1)=O
InChIKey
InChI	C16H13N3O3

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Mebendazole