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Compound 144
  CheckMol                        TMF02:r0:m0
MF=C15H11NO MW=221.26
 17 19  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    1.3583   -0.6024   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0158   -1.0985   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.1929   -2.0788   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.6457    0.1535   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.5158   -0.9331   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.2835   -2.3859   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9332   -0.5906   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6339    1.6654   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1418    0.4488   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.4135   -2.1379   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2206    0.1654   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9214    2.4213   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.6419    0.6142   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.9135   -1.9725   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2088    1.6772   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.5395   -0.5906   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 01  0  1  0  0
  2  4 02  0  1  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7 02  0  1  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
  8 12 01  0  1  0  0
  9 13 02  0  1  0  0
 10 14 01  0  1  0  0
 11 15 02  0  1  0  0
 12 16 02  0  1  0  0
 14 17 02  0  1  0  0
  4  7 01  0  1  0  0
 13 16 01  0  1  0  0
 15 17 01  0  1  0  0
M  END

2,5-Diphenyloxazole

₹ 0.00 0.00

Chemical Name - 2,5-Diphenyloxazole
Mol Weight - 221.258
Smiles - c1c(-c2ccccc2)oc(-c2ccccc2)n1

Property Name	Property Value
Mol Name	2,5-Diphenyloxazole
Molweight	221.258
Monoisotopic Mass	221.084064
Clogp	3.6252
Clogs	-4.988
H Acceptors	2
Total Surface Area	181.23
Relative Psa	0.13839
Polar Surface Area	26.03
Druglikeness	-0.6789
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.64706
Molecular Flexibility	0.37319
Molecular Complexity	0.65353
Fragments	1
Non H Atoms	17
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetric Atoms	4
Aromatic Nitrogens	1
Smiles	c1c(-c2ccccc2)oc(-c2ccccc2)n1
InChIKey	InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H
InChI	CNRNYORZJGVOSY-UHFFFAOYSA-N

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2,5-Diphenyloxazole