Compound 47
  CheckMol                        TMF02:r0:m0
MF=C18H15O3P MW=310.29
 22 24  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2893    0.7570   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4903   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3129    0.7570   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5785    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2774   -2.2237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6258    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5667   -1.0882   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8678    0.7807   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2656   -3.7140   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4721   -1.6323   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9388    0.7925   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6377   -1.4667   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6667   -2.3893   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1570    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5549   -4.4592   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8560   -1.9635   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2517    0.0591   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9506   -2.2000   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1452   -1.4430   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8441   -3.6904   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2635   -1.4312   -0.0000 C   0 00  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  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8 02  0  1  0  0
  5  9 01  0  1  0  0
  6 10 02  0  1  0  0
  6 11 01  0  1  0  0
  7 12 02  0  1  0  0
  7 13 01  0  1  0  0
  8 14 01  0  1  0  0
  9 15 02  0  1  0  0
 10 16 01  0  1  0  0
 11 17 02  0  1  0  0
 12 18 01  0  1  0  0
 13 19 02  0  1  0  0
 14 20 02  0  1  0  0
 16 21 02  0  1  0  0
 18 22 02  0  1  0  0
 15 20 01  0  1  0  0
 17 21 01  0  1  0  0
 19 22 01  0  1  0  0
M  END

2D Structure

Tri Phenyl Phosphite

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Chemical Name - Tri Phenyl Phosphite
Mol Weight - 310.288
Smiles - c(cc1)ccc1OP(Oc1ccccc1)Oc1ccccc1

Property Name	Property Value
Mol Name	Tri Phenyl Phosphite
Molweight	310.288
Monoisotopic Mass	310.075882
Clogp	5.4522
Clogs	-5.864
H Acceptors	3
Total Surface Area	229.53
Relative Psa	0.1307
Polar Surface Area	41.28
Druglikeness	-14.936
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.5
Molecular Flexibility	0.53951
Molecular Complexity	0.49511
Fragments	1
Non H Atoms	22
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	4
Symmetric Atoms	16
Smiles	c(cc1)ccc1OP(Oc1ccccc1)Oc1ccccc1
InChIKey	InChI=1S/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H
InChI	HVLLSGMXQDNUAL-UHFFFAOYSA-N

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1 — Tri Phenyl Phosphite | 2 — Tri Phenyl Phosphite