Chem 2 4 6 Trichlorophenol Bcipl

Compound 28
  CheckMol                        TMF02:r0:m0
MF=C6H3Cl3O MW=197.45
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.7489   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5913    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2838   -2.2466   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5794    1.5334   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8870   -0.7370   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5794   -2.9836   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1826    0.0238   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8751   -2.2347   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5675   -4.4813   -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  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  6  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

2, 4, 6 Trichlorophenol

₹ 0.00 0.00

Chemical Name - 2, 4, 6 Trichlorophenol
Mol Weight - 197.448
Smiles - Oc(c(Cl)cc(Cl)c1)c1Cl
InChI - LINPIYWFGCPVIE-UHFFFAOYSA-N
InChIKey - InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Property Name	Property Value
Mol Name	2, 4, 6 Trichlorophenol
Molweight	197.448
Monoisotopic Mass	195.924946
Clogp	3.1319
Clogs	-3.528
H Acceptors	1
H Donors	1
Total Surface Area	125.87
Relative Psa	0.10408
Polar Surface Area	20.23
Druglikeness	-2.05
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.6
Molecular Complexity	0.68024
Fragments	1
Non H Atoms	10
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	3
Smiles	Oc(c(Cl)cc(Cl)c1)c1Cl
InChIKey	InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChI	LINPIYWFGCPVIE-UHFFFAOYSA-N

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1 - 2, 4, 6 Trichlorophenol
2 - 2, 4, 6 Trichlorophenol

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2, 4, 6 Trichlorophenol