Chem 3 Thiophen 2 Ylisoxazole Dsrpl

Compound 102
  CheckMol                        TMF02:r0:m0
MF=C7H5NOS MW=151.18
 10 11  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0 00  0  0  0  0  0  0  0  0  0  0
   -0.1646   -1.4811   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4576    0.3291   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4811   -2.2217   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.1990   -2.0806   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1982   -0.9639   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8682   -1.5987   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.6457   -3.7028   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8791   -2.7036   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1268   -4.0084   -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  1  0  0  0  0
  2  5 02  0  1  0  0
  3  6 02  0  1  0  0
  4  7 02  0  1  0  0
  4  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  5  6 01  0  1  0  0
  9 10 01  0  1  0  0
M  END

3-(thiophen-2-yl)isoxazole

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Chemical Name - 3-(thiophen-2-yl)isoxazole
Mol Weight - 151.189
Smiles - c1csc(-c2nocc2)c1

Property Name	Property Value
Mol Name	3-(thiophen-2-yl)isoxazole
Molweight	151.189
Monoisotopic Mass	151.009184
Clogp	1.8436
Clogs	-2.412
H Acceptors	2
Total Surface Area	117.41
Relative Psa	0.38702
Polar Surface Area	54.27
Druglikeness	2.6747
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.41001
Molecular Complexity	0.72218
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Aromatic Nitrogens	1
Smiles	c1csc(-c2nocc2)c1
InChIKey	InChI=1S/C7H5NOS/c1-2-7(10-5-1)6-3-4-9-8-6/h1-5H
InChI	IWMABJZZIWFKGH-UHFFFAOYSA-N

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3-(thiophen-2-yl)isoxazole