Chem Isopropyltriphenylphosphonium Iodide Infi

Compound 143
  CheckMol                        TMF02:r0:m0
MF=C21H22IP MW=432.28
 23 24  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9150    0.0945   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4070    1.5359   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4467   -1.3233   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.4273   -0.1536   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9462   -1.0633   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9183    1.8077   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3994    2.7174   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.7818   -1.6541   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6669   -2.4457   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.4198    1.0279   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.3253   -1.4887   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4575   -0.7916   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0998   -2.5520   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4102    3.2491   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.8914    4.1589   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.4907   -3.0010   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0095   -3.8989   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.9321    0.7798   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.4713   -1.8195   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.4027    4.4306   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5218   -4.1589   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.4638   -0.6380   -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
  6 14  1  0  0  0  0
  7 15 01  0  1  0  0
  8 16 02  0  1  0  0
  9 17 01  0  1  0  0
 10 18 02  0  1  0  0
 11 19 01  0  1  0  0
 12 20 02  0  1  0  0
 15 21 02  0  1  0  0
 17 22 02  0  1  0  0
 19 23 02  0  1  0  0
 16 21 01  0  1  0  0
 18 22 01  0  1  0  0
 20 23 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

Isopropyltriphenylphosphonium iodide

₹ 0.00 0.00

Chemical Name - Isopropyltriphenylphosphonium iodide
Mol Weight - 305.38
Smiles - CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]

Property Name	Property Value
Mol Name	Isopropyltriphenylphosphonium iodide
Molweight	305.38
Monoisotopic Mass	305.145912
Clogp	6.0292
Clogs	-5.911
Total Surface Area	243.3
Druglikeness	-11.274
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.40909
Molecular Flexibility	0.47083
Molecular Complexity	0.62953
Fragments	2
Non H Atoms	22
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	4
Symmetric Atoms	15
Smiles	CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIKey	InChI=1S/C21H22P.HI/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1
InChI	HHBXWXJLQYJJBW-UHFFFAOYSA-M

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1 - Isopropyltriphenylphosphonium iodide
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Isopropyltriphenylphosphonium iodide