Chem Methyltriphenylphosphonium Iodide Infi

Compound 142
  CheckMol                        TMF02:r0:m0
MF=C19H18IP MW=404.23
 21 22  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642    0.0990   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6766    1.6340   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.6766   -1.4112   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.9887   -0.6437   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3644   -0.6437   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3768    2.4015   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0011    2.4015   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.8154   -2.1663   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3768   -2.1539   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3133    0.1238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3725   -2.2035   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3892    3.9365   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0135    3.9365   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0259   -3.6642   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3892   -3.6642   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.6379   -0.6190   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3257   -2.8967   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7137    4.7040   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7261   -4.4069   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.6502   -2.1292   -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
  7 13 01  0  1  0  0
  8 14 02  0  1  0  0
  9 15 01  0  1  0  0
 10 16 02  0  1  0  0
 11 17 01  0  1  0  0
 12 18 02  0  1  0  0
 13 19 02  0  1  0  0
 15 20 02  0  1  0  0
 17 21 02  0  1  0  0
 14 19 01  0  1  0  0
 16 20 01  0  1  0  0
 18 21 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

Methyltriphenylphosphonium iodide

₹ 0.00 0.00

Chemical Name - Methyltriphenylphosphonium iodide
Mol Weight - 277.326
Smiles - C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]

Property Name	Property Value
Mol Name	Methyltriphenylphosphonium iodide
Molweight	277.326
Monoisotopic Mass	277.114612
Clogp	5.1258
Clogs	-5.483
Total Surface Area	218.54
Druglikeness	-10.748
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.45
Molecular Flexibility	0.4647
Molecular Complexity	0.55597
Fragments	2
Non H Atoms	20
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	2
Symmetric Atoms	14
Smiles	C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIKey	InChI=1S/C19H18P.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
InChI	JNMIXMFEVJHFNY-UHFFFAOYSA-M

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1 - Methyltriphenylphosphonium iodide
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Methyltriphenylphosphonium iodide