Chem Para Chloro Meta Cresol 4 Chloro 3 Methyl Phenol Bcipl

Compound 73
  CheckMol                        TMF02:r0:m0
MF=C14H14Cl2O2 MW=285.17
 18 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
    0.7324    1.3112   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2207    1.3230   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0236    2.6223   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9649    2.6341   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9531    0.0354   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7205    3.9335   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2089    3.9453   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9531    5.2564   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5993    4.7249   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8433    3.4374   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3314    3.4492   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.5757    2.1498   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5636    2.1616   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5754    4.7603   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    0.8623   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.2959    0.8741   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5281   -0.4134   -0.0000 O   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
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12 02  0  1  0  0
 11 13 01  0  1  0  0
 12 14 01  0  1  0  0
 12 15  1  0  0  0  0
 13 16 02  0  1  0  0
 14 17 02  0  1  0  0
 17 18  1  0  0  0  0
  7  8 01  0  1  0  0
 16 17 01  0  1  0  0
M  END

Para Chloro Meta Cresol 4-Chloro-3-Methyl Phenol

₹ 0.00 0.00

Chemical Name - Para Chloro Meta Cresol 4-Chloro-3-Methyl Phenol
Mol Weight - 142.585
Smiles - Cc(cc(cc1)O)c1Cl.Cc(cc(cc1)O)c1Cl
InChI - VKSOBFJVOGQQMY-UHFFFAOYSA-N
InChIKey - InChI=1S/2C7H7ClO/c2*1-5-4-6(9)2-3-7(5)8/h2*2-4,9H,1H3

Property Name	Property Value
Mol Name	Para Chloro Meta Cresol 4-Chloro-3-Methyl Phenol
Molweight	142.585
Monoisotopic Mass	142.018542
Clogp	2.2638
Clogs	-2.4
H Acceptors	1
H Donors	1
Total Surface Area	107.29
Relative Psa	0.1221
Polar Surface Area	20.23
Druglikeness	-2.0981
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Complexity	0.72259
Fragments	2
Non H Atoms	9
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Smiles	Cc(cc(cc1)O)c1Cl.Cc(cc(cc1)O)c1Cl
InChIKey	InChI=1S/2C7H7ClO/c21-5-4-6(9)2-3-7(5)8/h22-4,9H,1H3
InChI	VKSOBFJVOGQQMY-UHFFFAOYSA-N

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Para Chloro Meta Cresol 4-Chloro-3-Methyl Phenol