Chem 3 Piperidin 4 Ylbenzodisoxazole Dsrpl

Compound 310
  CheckMol                        TMF02:r0:m0
MF=C12H14N2O MW=202.26
 15 17  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    0.9978    1.1284   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    0.7365   -1.2947   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.3638    0.5226   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1975   -0.9740   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.2613   -2.7201   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6585    1.2829   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1953   -2.0787   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2591   -3.8248   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6466    2.8033   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9532    0.5345   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7201   -3.5041   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9414    3.5635   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2480    1.3066   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2361    2.8152   -0.0000 N   0  0  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
  3  5 02  0  2  0  0
  3  6 01  0  1  0  0
  4  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  1  0  1  0  0
  7 11  1  0  1  0  0
  8 12 02  0  1  0  0
 10 13  1  0  1  0  0
 11 14  1  0  1  0  0
 13 15  1  0  1  0  0
  4  5 01  0  1  0  0
  9 12 01  0  1  0  0
 14 15  1  0  1  0  0
M  END

3-(piperidin-4-yl)benzo[d]isoxazole

₹ 0.00 0.00

Chemical Name - 3-(piperidin-4-yl)benzo[d]isoxazole
Mol Weight - 202.256
Smiles - C(CNCC1)C1c1noc2c1cccc2

Property Name	Property Value
Mol Name	3-(piperidin-4-yl)benzo[d]isoxazole
Molweight	202.256
Monoisotopic Mass	202.110613
Clogp	2.2701
Clogs	-2.98
H Acceptors	3
H Donors	1
Total Surface Area	161.81
Relative Psa	0.22582
Polar Surface Area	38.06
Druglikeness	1.919
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.22302
Molecular Complexity	0.71956
Fragments	1
Non H Atoms	15
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	6
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	C(CNCC1)C1c1noc2c1cccc2
InChIKey	InChI=1S/C12H14N2O/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChI	KEIQPPQTKPFHLZ-UHFFFAOYSA-N

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3-(piperidin-4-yl)benzo[d]isoxazole