Chem Dichlorometa Xylenol 24 Dichloro 35 Xylenol Bcipl

Compound 78
  CheckMol                        TMF02:r0:m0
MF=C16H18Cl4O2 MW=384.13
 22 22  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7303    1.3075   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2146    1.3193   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0236    2.6151   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9449    0.0353   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9567    2.6268   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7186    3.9226   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.5313    2.6268   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    3.9344   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    5.2301   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    5.2419   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -0.5654   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8675    0.9424   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1514    1.6963   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5599    1.7080   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1397    3.2040   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4354    0.9541   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5482    3.2158   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4236    3.9579   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8321    3.9697   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    5.2772   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742    5.2772   -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  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  4  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  1  0  0
 13 15  1  0  1  0  0
 14 16  1  0  1  0  0
 14 17  1  0  0  0  0
 15 18  2  0  1  0  0
 16 19  1  0  0  0  0
 16 20  1  0  1  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  9 01  0  1  0  0
 18 20  1  0  1  0  0
M  END

Dichlorometa Xylenol 2,4 Dichloro 3,5 Xylenol

₹ 0.00 0.00

Chemical Name - Dichlorometa Xylenol 2,4 Dichloro 3,5 Xylenol
Mol Weight - 191.057
Smiles - CC1(C=CC(Cl)=C(C)C1Cl)O.Cc(c(Cl)c1C)cc(O)c1Cl
InChI - YJAKEDVTAIDTIC-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H10Cl2O.C8H8Cl2O/c1-5-6(9)3-4-8(2,11)7(5)10;1-4-3-6(11)8(10)5(2)7(4)9/h3-4,7,11H,1-2H3;3,11H,1-2H3

Property Name	Property Value
Mol Name	Dichlorometa Xylenol 2,4 Dichloro 3,5 Xylenol
Molweight	191.057
Monoisotopic Mass	189.995219
Clogp	3.2137
Clogs	-3.48
H Acceptors	1
H Donors	1
Total Surface Area	134.97
Relative Psa	0.097059
Polar Surface Area	20.23
Druglikeness	-2.0981
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.54545
Molecular Complexity	0.78637
Fragments	2
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Smiles	CC1(C=CC(Cl)=C(C)C1Cl)O.Cc(c(Cl)c1C)cc(O)c1Cl
InChIKey	InChI=1S/C8H10Cl2O.C8H8Cl2O/c1-5-6(9)3-4-8(2,11)7(5)10;1-4-3-6(11)8(10)5(2)7(4)9/h3-4,7,11H,1-2H3;3,11H,1-2H3
InChI	YJAKEDVTAIDTIC-UHFFFAOYSA-N

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Dichlorometa Xylenol 2,4 Dichloro 3,5 Xylenol