Compound 7
  CheckMol                        TMF02:r0:m0
MF=C19H23N3 MW=293.41
 22 23  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2876   -0.7442   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3112   -0.7442   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5751    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2757   -2.2325   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6224    0.0118   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8627   -0.7206   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5633    1.5238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5633   -2.9767   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9335   -0.7324   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342    1.5238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508   -2.2089   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2447    0.0236   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1384   -2.9531   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5559   -0.7206   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5677   -2.2089   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8671    0.0472   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8789   -2.9413   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2801   -2.9531   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1782   -0.6851   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1900   -2.1853   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.5012   -2.9177   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  3  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
  4  8  1  0  0  0  0
  5  9 02  0  1  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12 02  0  1  0  0
 10 13  2  3  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16 02  0  1  0  0
 15 17 01  0  1  0  0
 16 18 01  0  1  0  0
 16 19  1  0  0  0  0
 17 20 02  0  1  0  0
 18 21 02  0  1  0  0
 21 22  1  0  0  0  0
  9 12 01  0  1  0  0
 20 21 01  0  1  0  0
M  END

2D Structure

Amitraz

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Chemical Name - Amitraz
Mol Weight - 293.413
Smiles - Cc(cc1)cc(C)c1N=CN(C)C=Nc1c(C)cc(C)cc1

Property Name	Property Value
Mol Name	Amitraz
Molweight	293.413
Monoisotopic Mass	293.189197
Clogp	3.4928
Clogs	-4.521
H Acceptors	3
Total Surface Area	254.14
Relative Psa	0.10455
Polar Surface Area	27.96
Druglikeness	1.7182
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Shape Index	0.68182
Molecular Flexibility	0.49031
Molecular Complexity	0.66348
Fragments	1
Non H Atoms	22
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	5
Symmetric Atoms	10
Smiles	Cc(cc1)cc(C)c1N=CN(C)C=Nc1c(C)cc(C)cc1
InChIKey	InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3
InChI	QXAITBQSYVNQDR-UHFFFAOYSA-N

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