Chem Tetra Propyl Ammonium Bromide

Compound 21
  CheckMol                        TMF02:r0:m0
MF=C12H28BrN MW=266.26
 14 12  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2765    0.0930   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6943   -0.4067   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1377   -0.8599   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4386    1.0691   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0325    1.5804   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9615   -1.8710   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4049   -2.3242   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1946    2.5566   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380    2.1034   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3793   -2.3707   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2661   -3.2771   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3566    3.5328   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3939    3.5909   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

Tetra Propyl Ammonium Bromide

₹ 0.00 0.00

Chemical Name - Tetra Propyl Ammonium Bromide
Mol Weight - 186.361
Smiles - CCC[N+](CCC)(CCC)CCC.[Br-]

Property Name	Property Value
Mol Name	Tetra Propyl Ammonium Bromide
Molweight	186.361
Monoisotopic Mass	186.222174
Clogp	0.3694
Clogs	-1.822
H Acceptors	1
Total Surface Area	178.5
Relative Psa	-0.042689
Druglikeness	-3.015
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Flexibility	0.72239
Molecular Complexity	0.3662
Fragments	2
Non H Atoms	13
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	8
Sp3 Atoms	13
Symmetric Atoms	9
Amines	1
Alkyl Amines	1
Smiles	CCC[N+](CCC)(CCC)CCC.[Br-]
InChIKey	InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChI	BGQMOFGZRJUORO-UHFFFAOYSA-M

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Tetra Propyl Ammonium Bromide