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Compound 71
  CheckMol                        TMF02:r0:m0
MF=C13H10Cl2O2 MW=269.13
 17 18  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072   -0.7419   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6145    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3190   -2.2258   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9217   -0.7184   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6263   -2.9678   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9335   -2.2023   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2290    0.0353   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2408   -2.9325   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5362   -0.7066   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8435    0.0471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5480   -2.1905   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8552    1.5546   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1507   -0.6948   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8552   -2.9325   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1625   -2.1787   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8670   -4.4164   -0.0000 Cl  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
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13  1  0  0  0  0
 11 14 01  0  1  0  0
 12 15 02  0  1  0  0
 14 16 02  0  1  0  0
 15 17  1  0  0  0  0
  6  7 01  0  1  0  0
 15 16 01  0  1  0  0
M  END

Dichlorophene

₹ 0.00 0.00

Chemical Name - Dichlorophene
Mol Weight - 269.126
Smiles - Oc(cc1)c(Cc(cc(cc2)Cl)c2O)cc1Cl
InChI - MDNWOSOZYLHTCG-UHFFFAOYSA-N
InChIKey - InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2

Property Name	Property Value
Mol Name	Dichlorophene
Molweight	269.126
Monoisotopic Mass	268.005784
Clogp	3.9961
Clogs	-4.207
H Acceptors	2
H Donors	2
Total Surface Area	190.32
Relative Psa	0.13766
Polar Surface Area	40.46
Druglikeness	-2.0352
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.52941
Molecular Flexibility	0.42162
Molecular Complexity	0.70492
Fragments	1
Non H Atoms	17
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	3
Symmetric Atoms	8
Smiles	Oc(cc1)c(Cc(cc(cc2)Cl)c2O)cc1Cl
InChIKey	InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
InChI	MDNWOSOZYLHTCG-UHFFFAOYSA-N

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Dichlorophene