Chem Phenylpyridylmethyl Acetate AlkaliMetal

Compound 285
  CheckMol                        TMF02:r0:m0
MF=C14H13NO2 MW=227.26
 17 18  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   -1.4853   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203   -2.2162   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2731   -2.2162   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6288   -1.4617   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6405    0.0472   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9372   -2.1926   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3556    0.8016   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9490    0.8016   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2457   -1.4264   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9490   -3.6779   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3674    2.3105   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9608    2.3105   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5542   -2.1572   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2575   -4.4088   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6759    3.0649   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5660   -3.6425   -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
  5  6  1  0  0  0  0
  5  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
  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
 13 16 01  0  1  0  0
 15 17 01  0  1  0  0
M  END

Phenylpyridylmethyl Acetate

₹ 0.00 0.00

Chemical Name - Phenylpyridylmethyl Acetate
Mol Weight - 227.262
Smiles - CC(OC(c1ccccc1)c1ncccc1)=O

Property Name	Property Value
Mol Name	Phenylpyridylmethyl Acetate
Molweight	227.262
Monoisotopic Mass	227.094629
Clogp	2.3158
Clogs	-2.399
H Acceptors	3
Total Surface Area	184.29
Relative Psa	0.18455
Polar Surface Area	39.19
Druglikeness	-0.65521
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.52941
Molecular Flexibility	0.372
Molecular Complexity	0.67019
Fragments	1
Non H Atoms	17
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	3
Symmetric Atoms	2
Aromatic Nitrogens	1
Smiles	CC(OC(c1ccccc1)c1ncccc1)=O
InChIKey	InChI=1S/C14H13NO2/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-10,14H,1H3
InChI	HJHLXSGPHIJHQC-UHFFFAOYSA-N

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Phenylpyridylmethyl Acetate