Chem Bis26 Dimethylphenylphosphate Dsrpl

Compound 379
  CheckMol                        TMF02:r0:m0
MF=C16H18O4P MW=305.29
 21 22  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7551   -1.2860   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.7551   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3096    0.7551   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315   -1.2860   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742    2.2653   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6192    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5602    3.0321   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0203   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6310   -1.4630   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9288    0.7787   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5484    4.5423   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8462    2.3006   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5305   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3450    2.2771   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9406   -2.1945   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3450   -2.2063   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2384    0.0472   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9406    2.2888   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2388    5.2974   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2502   -1.4394   -0.0000 C   0 00  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
  6  8 02  0  1  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  7 11 01  0  1  0  0
  8 12 01  0  1  0  0
  8 13  1  0  0  0  0
  9 14 02  0  1  0  0
  9 15  1  0  0  0  0
 10 16 01  0  1  0  0
 10 17  1  0  0  0  0
 11 18 02  0  1  0  0
 11 19  1  0  0  0  0
 12 20 02  0  1  0  0
 16 21 02  0  1  0  0
 14 20 01  0  1  0  0
 18 21 01  0  1  0  0
M  CHG  1   5  -1
M  END

Bis(2,6-dimethylphenyl)phosphate

₹ 0.00 0.00

Chemical Name - Bis(2,6-dimethylphenyl)phosphate
Mol Weight - 305.289
Smiles - Cc1cccc(C)c1OP([O-])(Oc1c(C)cccc1C)=O

Property Name	Property Value
Mol Name	Bis(2,6-dimethylphenyl)phosphate
Molweight	305.289
Monoisotopic Mass	305.094272
Clogp	1.3051
Clogs	-3.754
H Acceptors	4
Total Surface Area	233.36
Relative Psa	0.21983
Polar Surface Area	68.4
Druglikeness	-27.855
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.52381
Molecular Flexibility	0.51198
Molecular Complexity	0.6621
Fragments	1
Non H Atoms	21
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	8
Symmetric Atoms	12
Acidic Oxygens	1
Smiles	Cc1cccc(C)c1OP([O-])(Oc1c(C)cccc1C)=O
InChIKey	InChI=1S/C16H19O4P/c1-11-7-5-8-12(2)15(11)19-21(17,18)20-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3,(H,17,18)/p-1
InChI	APOXBWCRUPJDAC-UHFFFAOYSA-M

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Bis(2,6-dimethylphenyl)phosphate