Chem 4 Diphenylphosphanylbenzaldehyde Dsrpl

Compound 382
  CheckMol                        TMF02:r0:m0
MF=C19H15OP MW=290.30
 21 23  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5106   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2863   -0.7317   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3099   -0.7317   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2745    2.2776   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3217    2.2658   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2745   -2.2186   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5727    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6199    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3217   -2.2186   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2627    3.7882   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3335    3.7764   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5609   -2.9621   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8590   -0.7199   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9298   -0.6963   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6317   -2.9503   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5435   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8472   -2.2068   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9416   -2.1832   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0590    6.0540   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3689    6.8211   -0.0000 O   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
  2  5 02  0  1  0  0
  2  6 01  0  1  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 01  0  1  0  0
  6 12 02  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 02  0  1  0  0
 13 18 02  0  1  0  0
 15 19 02  0  1  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 12 17 01  0  1  0  0
 14 18 01  0  1  0  0
 16 19 01  0  1  0  0
M  END

4-diphenylphosphanylbenzaldehyde

₹ 0.00 0.00

Chemical Name - 4-diphenylphosphanylbenzaldehyde
Mol Weight - 290.301
Smiles - O=Cc(cc1)ccc1P(c1ccccc1)c1ccccc1

Property Name	Property Value
Mol Name	4-diphenylphosphanylbenzaldehyde
Molweight	290.301
Monoisotopic Mass	290.086052
Clogp	4.9196
Clogs	-5.375
H Acceptors	1
Total Surface Area	219.07
Relative Psa	0.059524
Polar Surface Area	30.66
Druglikeness	-18.285
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.52381
Molecular Flexibility	0.38196
Molecular Complexity	0.55303
Fragments	1
Non H Atoms	21
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	1
Symmetric Atoms	10
Smiles	O=Cc(cc1)ccc1P(c1ccccc1)c1ccccc1
InChIKey	InChI=1S/C19H15OP/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
InChI	YJVCVMLWZAITLS-UHFFFAOYSA-N

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4-diphenylphosphanylbenzaldehyde