Chem 4 Benzyloxypyridinen Oxide Dsrpl

Compound 301
  CheckMol                        TMF02:r0:m0
MF=C12H11NO2 MW=201.22
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3121   -0.7329   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2885   -0.7329   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6243    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3240   -2.2224   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5770    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9364   -0.6974   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6361   -2.9553   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8655   -0.7093   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5652    1.5367   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9483   -2.1869   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    5.1540    0.0591   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8537    2.3051   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2604   -2.9198   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1422    1.5722   -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
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  6  9 02  0  1  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  9 12 01  0  1  0  0
 10 13 02  0  1  0  0
 11 14  1  0  0  0  0
 12 15 02  0  1  0  0
  8 11 01  0  1  0  0
 13 15 01  0  1  0  0
M  CHG  1  11   1
M  CHG  1  14  -1
M  END

4-(benzyloxy)pyridineN-oxide

₹ 0.00 0.00

Chemical Name - 4-(benzyloxy)pyridineN-oxide
Mol Weight - 201.224
Smiles - [O-][n+](cc1)ccc1OCc1ccccc1

Property Name	Property Value
Mol Name	4-(benzyloxy)pyridineN-oxide
Molweight	201.224
Monoisotopic Mass	201.078979
Clogp	1.5313
Clogs	-4.546
H Acceptors	3
Total Surface Area	158.83
Relative Psa	0.15274
Polar Surface Area	34.69
Druglikeness	-3.801
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.73333
Molecular Flexibility	0.4197
Molecular Complexity	0.48104
Fragments	1
Non H Atoms	15
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	3
Symmetric Atoms	4
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	[O-][n+](cc1)ccc1OCc1ccccc1
InChIKey	InChI=1S/C12H11NO2/c14-13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI	SUSQPKJQYWTFPU-UHFFFAOYSA-N

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4-(benzyloxy)pyridineN-oxide