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Compound 10
  CheckMol                        TMF02:r0:m0
MF=C9H9N3O2 MW=191.19
 14 15  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5088   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2731    2.2632   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3202    2.2632   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    1.5206   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6286    1.5206   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7937    0.0472   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0078    2.1453   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.2671   -0.2475   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0215    1.0491   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0333   -1.5324   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5303    1.0609   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5421   -1.5206   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.2965   -0.2240   -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
  9 10 02  0  2  0  0
 13 14 01  0  1  0  0
M  END

Carbendazim

₹ 0.00 0.00

Chemical Name - Carbendazim
Mol Weight - 191.189
Smiles - COC(Nc1nc(cccc2)c2[nH]1)=O

Property Name	Property Value
Mol Name	Carbendazim
Molweight	191.189
Monoisotopic Mass	191.069477
Clogp	1.5356
Clogs	-2.755
H Acceptors	5
H Donors	2
Total Surface Area	147.66
Relative Psa	0.40268
Polar Surface Area	67.01
Druglikeness	-3.2152
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.23547
Molecular Complexity	0.65788
Fragments	1
Non H Atoms	14
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	2
Amides	1
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	COC(Nc1nc(cccc2)c2[nH]1)=O
InChIKey	InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
InChI	TWFZGCMQGLPBSX-UHFFFAOYSA-N

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Carbendazim