Chem 3 3 Chlorophenethyl Pyridine AlkaliMetal

Compound 278
  CheckMol                        TMF02:r0:m0
MF=C13H12ClN MW=217.70
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4896   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3241   -2.2344   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2768   -2.2226   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3359   -3.7241   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2650   -3.7122   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4571   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6482   -4.4571   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9605   -3.7004   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2728   -4.4334   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5851   -3.6650   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2846   -5.9230   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8974   -4.3979   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5969   -6.6560   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.9092   -5.8876   -0.0000 C   0 00  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
  6  7 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

3-(3-Chlorophenethyl) Pyridine

₹ 0.00 0.00

Chemical Name - 3-(3-Chlorophenethyl) Pyridine
Mol Weight - 217.698
Smiles - Clc1cc(CCc2cnccc2)ccc1

Property Name	Property Value
Mol Name	3-(3-Chlorophenethyl) Pyridine
Molweight	217.698
Monoisotopic Mass	217.065826
Clogp	3.4661
Clogs	-3.195
H Acceptors	1
Total Surface Area	174.72
Relative Psa	0.062786
Polar Surface Area	12.89
Druglikeness	-2.835
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.51239
Molecular Complexity	0.58251
Fragments	1
Non H Atoms	15
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Aromatic Nitrogens	1
Smiles	Clc1cc(CCc2cnccc2)ccc1
InChIKey	InChI=1S/C13H12ClN/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-5,8-10H,6-7H2
InChI	CJWNRACOMOLTCH-UHFFFAOYSA-N

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3-(3-Chlorophenethyl) Pyridine