Chem Acetyl Choline Chloride Molychem

Compound 261
  CheckMol                        TMF02:r0:m0
MF=C7H16ClNO2 MW=181.66
 11  9  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.8631    0.6531   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6182   -0.8163   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2188   -1.3178   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7844   -1.7726   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0759   -0.3382   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6765   -0.8397   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5336    0.1399   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5132    1.3061   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3907    1.1196   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5773   -1.0029   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  CHG  1   1  -1
M  CHG  1   8   1
M  END

Acetyl Choline Chloride

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Chemical Name - Acetyl Choline Chloride
Mol Weight - 146.209
Smiles - CC(OCC[N+](C)(C)C)=O.[Cl-]

Property Name	Property Value
Mol Name	Acetyl Choline Chloride
Molweight	146.209
Monoisotopic Mass	146.118104
Clogp	-3.1092
Clogs	0.255
H Acceptors	3
Total Surface Area	123.69
Relative Psa	0.12467
Polar Surface Area	26.3
Druglikeness	-1.438
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.72845
Molecular Complexity	0.48648
Fragments	2
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	4
Sp3 Atoms	8
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Smiles	CC(OCC[N+](C)(C)C)=O.[Cl-]
InChIKey	InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChI	JUGOREOARAHOCO-UHFFFAOYSA-M

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Acetyl Choline Chloride