Chem Cresyl Diphenyl Phosphate

Compound 10
  CheckMol                        TMF02:r0:m0
MF=C19H17O4P MW=340.31
 24 26  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2887   -0.7330   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2887    0.7567   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4897   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3124    0.7567   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3242   -2.2228   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3242    2.2700   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5656   -1.4661   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8662    0.7803   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6366   -1.4542   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3360   -3.7125   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6366    3.0267   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355    3.0385   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8543   -2.2109   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1549    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9489   -2.1873   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6484   -4.4455   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6484    4.5401   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473    4.5519   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1431   -1.4542   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9608   -3.6770   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3597    5.3086   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4318   -2.1991   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  7 12 01  0  1  0  0
  8 13 02  0  1  0  0
  8 14 01  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 01  0  1  0  0
 14 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
 21 24  1  0  0  0  0
 16 21 01  0  1  0  0
 18 22 01  0  1  0  0
 20 23 01  0  1  0  0
M  END

Cresyl Diphenyl Phosphate

₹ 0.00 0.00

Property Name	Property Value
Mol Name	Cresyl Diphenyl Phosphate
Molweight	340.314
Monoisotopic Mass	340.086447
Clogp	4.6292
Clogs	-4.89
H Acceptors	4
Total Surface Area	258.81
Relative Psa	0.18168
Polar Surface Area	54.57
Druglikeness	-18.505
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.5
Molecular Flexibility	0.59779
Molecular Complexity	0.56446
Fragments	1
Non H Atoms	24
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	5
Symmetric Atoms	11
Smiles	Cc(cc1)ccc1OP(Oc1ccccc1)(Oc1ccccc1)=O

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Cresyl Diphenyl Phosphate