Chem 4 7 Dichloro Quinoline Pacific

Compound 122
  CheckMol                        TMF02:r0:m0
MF=C9H5Cl2N MW=198.05
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3133   -0.7336   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3251   -2.2243   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6266    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6384   -2.9579   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9697   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9399   -0.6981   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9517   -2.2007   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6503   -4.4487   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4605   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3606   -5.1940   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3725   -6.6848   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 01  0  1  0  0
  2  4 02  0  1  0  0
  3  5 01  0  2  0  0
  3  6 02  0  1  0  0
  4  7 01  0  1  0  0
  5  8 01  0  1  0  0
  5  9 02  0  1  0  0
  6 10 01  0  1  0  0
  9 11 01  0  1  0  0
 11 12  1  0  0  0  0
  7  8 02  0  1  0  0
 10 11 02  0  1  0  0
M  END

4, 7 Dichloro Quinoline

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Chemical Name - 4, 7 Dichloro Quinoline
Mol Weight - 198.052
Smiles - Clc1ccc2c(Cl)ccnc2c1

Property Name	Property Value
Mol Name	4, 7 Dichloro Quinoline
Molweight	198.052
Monoisotopic Mass	196.979903
Clogp	3.1876
Clogs	-3.794
H Acceptors	1
Total Surface Area	137.46
Relative Psa	0.079805
Polar Surface Area	12.89
Druglikeness	-1.689
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Complexity	0.73034
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Aromatic Nitrogens	1
Smiles	Clc1ccc2c(Cl)ccnc2c1
InChIKey	InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChI	HXEWMTXDBOQQKO-UHFFFAOYSA-N

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4, 7 Dichloro Quinoline