Chem 1 Chloroethyl Cyclohexyl Carbonate Pacific

Compound 124
  CheckMol                        TMF02:r0:m0
MF=C9H15ClO3 MW=206.67
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5086   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    2.2629   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2729    2.2629   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283    1.5322   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401    0.0471   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9365    2.2865   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2448    1.5558   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5530    2.3218   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2566    0.0707   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8613    1.5911   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5648   -0.6600   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8731    0.1061   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  1  0  0
  8 10  1  0  1  0  0
  9 11  1  0  1  0  0
 10 12  1  0  1  0  0
 11 13  1  0  1  0  0
 12 13  1  0  1  0  0
M  END

1-Chloroethyl Cyclohexyl Carbonate

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Chemical Name - 1-Chloroethyl Cyclohexyl Carbonate
Mol Weight - 206.668
Smiles - CC(OC(OC1CCCCC1)=O)Cl

Property Name	Property Value
Mol Name	1-Chloroethyl Cyclohexyl Carbonate
Molweight	206.668
Monoisotopic Mass	206.070972
Clogp	2.5891
Clogs	-3.315
H Acceptors	3
Total Surface Area	159.23
Relative Psa	0.2075
Polar Surface Area	35.53
Druglikeness	-11.92
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.69231
Molecular Flexibility	0.33292
Molecular Complexity	0.51517
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Sp3 Atoms	10
Symmetric Atoms	2
Smiles	CC(OC(OC1CCCCC1)=O)Cl
InChIKey	InChI=1S/C9H15ClO3/c1-7(10)12-9(11)13-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChI	ONZWFHWHTYZZLM-UHFFFAOYSA-N

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1 - 1-Chloroethyl Cyclohexyl Carbonate
2 - 1-Chloroethyl Cyclohexyl Carbonate

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1-Chloroethyl Cyclohexyl Carbonate