Chem Propiconazole Meghamani

Compound 27
  CheckMol                        TMF02:r0:m0
MF=C15H17Cl2N3O2 MW=342.22
 22 24  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6990   -1.3268   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.1066   -2.5826   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2154   -1.3979   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.5923   -3.9094   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.5993   -2.4878   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9143   -2.7248   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.1087   -3.9805   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.0565   -2.1680   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411   -1.1728   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9714   -3.8502   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4307   -2.7958   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1986   -0.6634   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8363   -0.0474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481   -5.0586   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    4.4899    0.0948   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3742   -6.4802   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.3408   -5.0467   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.7812   -0.6397   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -7.3569   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.7910   -6.4684   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    7.0725    0.1185   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  1  0  0
  6 10  1  0  1  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  1  0  0
 10 14  1  0  1  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17 01  0  1  0  0
 15 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
 19 22  1  0  0  0  0
  7  8 01  0  1  0  0
 13 14  1  0  1  0  0
 20 21 01  0  1  0  0
M  END

Propiconazole

₹ 0.00 0.00

Chemical Name - Propiconazole
Mol Weight - 342.225
Smiles - CCCC1OC(Cn2ncnc2)(c(ccc(Cl)c2)c2Cl)OC1

Property Name	Property Value
Mol Name	Propiconazole
Molweight	342.225
Monoisotopic Mass	341.069781
Clogp	3.0645
Clogs	-3.364
H Acceptors	5
Total Surface Area	247.29
Relative Psa	0.19738
Polar Surface Area	49.17
Druglikeness	1.8633
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.47098
Molecular Complexity	0.83685
Fragments	1
Non H Atoms	22
Non Ch Atoms	7
Electronegative Atoms	7
Stereo Centers	2
Rotatable Bonds	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	9
Aromatic Nitrogens	3
Smiles	CCCC1OC(Cn2ncnc2)(c(ccc(Cl)c2)c2Cl)OC1
InChIKey	InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
InChI	STJLVHWMYQXCPB-UHFFFAOYSA-N

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Propiconazole