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Compound 20
  CheckMol                        TMF02:r0:m0
MF=C15H21NO4 MW=279.34
 20 20  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149   -0.7344   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6298    0.0237   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3267   -2.2270   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6416    1.5400   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9615   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6416   -2.9615   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4540   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2557   -2.2033   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3623   -5.1885   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2438   -5.2003   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2438   -0.6871   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5468   -2.9378   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3741   -6.6810   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6772   -4.4185   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320   -6.6929   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5350   -4.4422   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380   -2.1796   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829   -7.4273   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1292   -2.9141   -0.0000 C   0  0  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
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10 02  0  1  0  0
  8 11 01  0  1  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14 01  0  1  0  0
 10 15  1  0  0  0  0
 11 16 02  0  1  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19 02  0  1  0  0
 18 20  1  0  0  0  0
 16 19 01  0  1  0  0
M  END

Metalaxyl

₹ 0.00 0.00

Chemical Name - Metalaxyl
Mol Weight - 279.335
Smiles - CC(C(OC)=O)N(C(COC)=O)c1c(C)cccc1C

Property Name	Property Value
Mol Name	Metalaxyl
Molweight	279.335
Monoisotopic Mass	279.147059
Clogp	1.7189
Clogs	-2.524
H Acceptors	5
Total Surface Area	226.62
Relative Psa	0.219
Polar Surface Area	55.84
Druglikeness	-1.9687
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Shape Index	0.45
Molecular Flexibility	0.57703
Molecular Complexity	0.76455
Fragments	1
Non H Atoms	20
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	1
Rotatable Bonds	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	9
Symmetric Atoms	3
Amides	1
Smiles	CC(C(OC)=O)N(C(COC)=O)c1c(C)cccc1C
InChIKey	InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
InChI	ZQEIXNIJLIKNTD-UHFFFAOYSA-N

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Metalaxyl