Chem Diphenyl Carbonate Molychem

Compound 333
  CheckMol                        TMF02:r0:m0
MF=C13H10O3 MW=214.22
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5145   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2778    2.2717   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251    2.2717   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675    1.5381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6385    1.5381   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5556    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8571    2.2953   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9518    2.3072   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6503    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8453   -0.6981   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1468    1.5500   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2651    1.5736   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9636   -0.6862   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0592   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2769    0.0828   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7 02  0  1  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  6 10 01  0  1  0  0
  7 11 01  0  1  0  0
  8 12 02  0  1  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 11 15 02  0  1  0  0
 13 16 02  0  1  0  0
 12 15 01  0  1  0  0
 14 16 01  0  1  0  0
M  END

Diphenyl Carbonate

₹ 0.00 0.00

Chemical Name - Diphenyl Carbonate
Mol Weight - 214.219
Smiles - O=C(Oc1ccccc1)Oc1ccccc1

Property Name	Property Value
Mol Name	Diphenyl Carbonate
Molweight	214.219
Monoisotopic Mass	214.062995
Clogp	3.367
Clogs	-3.56
H Acceptors	3
Total Surface Area	170.77
Relative Psa	0.19348
Polar Surface Area	35.53
Druglikeness	-2.0964
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.6875
Molecular Flexibility	0.33131
Molecular Complexity	0.44793
Fragments	1
Non H Atoms	16
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Symmetric Atoms	9
Smiles	O=C(Oc1ccccc1)Oc1ccccc1
InChIKey	InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
InChI	ROORDVPLFPIABK-UHFFFAOYSA-N

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Diphenyl Carbonate