Chem 1 Ethoxycarbonylethylidene Triphenylphosphorane Gmfine

Compound 24
  CheckMol                        TMF02:r0:m0
MF=C23H23O2P MW=362.41
 26 28  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0124    1.5395   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0124   -1.5147   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3285   -0.7449   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.3036   -0.7449   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2912    2.3093   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3409    2.3093   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.1547   -2.2721   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.1050   -2.2969   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6569    0.0248   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.7134   -2.3093   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6073    0.0248   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6637   -2.1976   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2788    3.8488   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3533    3.8488   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3657   -3.7744   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2788   -3.7744   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9854   -0.7201   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6694   -3.0046   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5949    1.5644   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9109   -0.7201   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0497    4.6186   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0621   -4.5193   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9978   -2.2348   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2146    0.0497   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5182   -0.6953   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6 02  0  1  0  0
  2  7 01  0  1  0  0
  3  8 02  0  1  0  0
  3  9 01  0  1  0  0
  4 10 02  0  1  0  0
  4 11 01  0  1  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14 01  0  1  0  0
  7 15 02  0  1  0  0
  8 16 01  0  1  0  0
  9 17 02  0  1  0  0
 10 18 01  0  1  0  0
 11 19 02  0  1  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 14 22 02  0  1  0  0
 16 23 02  0  1  0  0
 18 24 02  0  1  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 15 22 01  0  1  0  0
 17 23 01  0  1  0  0
 19 24 01  0  1  0  0
M  END

(1-Ethoxycarbonylethylidene) triphenylphosphorane

₹ 0.00 0.00

Chemical Name - (1-Ethoxycarbonylethylidene) triphenylphosphorane
Mol Weight - 362.408
Smiles - CCOC(C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O

Property Name	Property Value
Mol Name	(1-Ethoxycarbonylethylidene) triphenylphosphorane
Molweight	362.408
Monoisotopic Mass	362.143567
Clogp	5.5214
Clogs	-5.408
H Acceptors	2
Total Surface Area	287.75
Relative Psa	0.093901
Polar Surface Area	36.11
Druglikeness	-15.48
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.38462
Molecular Flexibility	0.42424
Molecular Complexity	0.76113
Fragments	1
Non H Atoms	26
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	5
Symmetric Atoms	14
Smiles	CCOC(C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O
InChIKey	InChI=1S/C23H23O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3
InChI	KZENFXVDPUMQOE-UHFFFAOYSA-N

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1 - (1-Ethoxycarbonylethylidene) triphenylphosphorane
2 - (1-Ethoxycarbonylethylidene) triphenylphosphorane

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(1-Ethoxycarbonylethylidene) triphenylphosphorane