Chem Ethyltriphenylphosphonium Bromide

Compound 17
  CheckMol                        TMF02:r0:m0
MF=C20H20BrP MW=371.26
 22 23  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8913    0.0941   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3857    1.5285   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4204   -1.3169   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3963   -0.1529   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9271   -1.0582   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9042    1.7989   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3733    2.7043   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.7490   -1.6461   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.4562   -2.4691   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.3839    1.0229   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.2899   -1.4815   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4456   -0.7878   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3986    3.2334   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.8677    4.1388   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.4545   -2.9865   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.9853   -3.8801   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.8889    0.7760   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.4304   -1.8107   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3863    4.4092   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.4903   -4.1388   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.4180   -0.6349   -0.0000 C   0 00  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 02  0  1  0  0
  3  8 01  0  1  0  0
  4  9 02  0  1  0  0
  4 10 01  0  1  0  0
  5 11 02  0  1  0  0
  5 12 01  0  1  0  0
  6 13  1  0  0  0  0
  7 14 01  0  1  0  0
  8 15 02  0  1  0  0
  9 16 01  0  1  0  0
 10 17 02  0  1  0  0
 11 18 01  0  1  0  0
 12 19 02  0  1  0  0
 14 20 02  0  1  0  0
 16 21 02  0  1  0  0
 18 22 02  0  1  0  0
 15 20 01  0  1  0  0
 17 21 01  0  1  0  0
 19 22 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

Ethyltriphenylphosphonium Bromide

₹ 0.00 0.00

Chemical Name - Ethyltriphenylphosphonium Bromide
Mol Weight - 291.353
Smiles - CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

Property Name	Property Value
Mol Name	Ethyltriphenylphosphonium Bromide
Molweight	291.353
Monoisotopic Mass	291.130262
Clogp	5.6228
Clogs	-5.715
Total Surface Area	232.3
Druglikeness	-10.85
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.42857
Molecular Flexibility	0.47384
Molecular Complexity	0.60487
Fragments	2
Non H Atoms	21
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	3
Symmetric Atoms	14
Smiles	CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey	InChI=1S/C20H20P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
InChI	JHYNXXDQQHTCHJ-UHFFFAOYSA-M

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Ethyltriphenylphosphonium Bromide