Compound 40
  CheckMol                        TMF02:r0:m0
MF=C12H15N3O2S MW=265.33
 18 19  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7534    1.3067   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7534   -1.2832   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2603    1.3185   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0235    2.6135   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0118   -2.5664   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0137    2.6253   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7770    3.9202   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7652   -3.8496   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4853    2.9431   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2839    3.9320   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6501    4.4382   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2963    5.0504   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.9569    5.1916   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2636    4.4500   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2754    2.9667   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5703    5.2034   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8771    4.4618   -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  1  0  0  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10 01  0  1  0  0
  7 11 02  0  2  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14  1  0  0  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  1  0  0  0  0
  8 11 01  0  1  0  0
 12 13 02  0  1  0  0
M  END

2D Structure

Albendazole

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Chemical Name - Albendazole
Mol Weight - 265.336
Smiles - CCCSc(cc1)cc2c1nc(NC(OC)=O)[nH]2

Property Name	Property Value
Mol Name	Albendazole
Molweight	265.336
Monoisotopic Mass	265.088497
Clogp	2.9642
Clogs	-4.105
H Acceptors	5
H Donors	2
Total Surface Area	204.93
Relative Psa	0.37549
Polar Surface Area	92.31
Druglikeness	-2.9435
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.72222
Molecular Flexibility	0.38345
Molecular Complexity	0.7473
Fragments	1
Non H Atoms	18
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	6
Amides	1
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	CCCSc(cc1)cc2c1nc(NC(OC)=O)[nH]2
InChIKey	InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChI	HXHWSAZORRCQMX-UHFFFAOYSA-N

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1 — Albendazole | 2 — Albendazole