Chem 5 3 Fluorophenylisoxazole Dsrpl

Compound 203
  CheckMol                        TMF02:r0:m0
MF=C9H6FNO MW=163.15
 12 13  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4915   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3258   -2.2254   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2784   -2.2372   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3376   -3.7169   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2666   -3.7287   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6515   -4.4626   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0473   -4.4626   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8172   -5.9423   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0365   -3.8352   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.2969   -6.2382   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0545   -4.9361   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7  1  0  0  0  0
  5  8 02  0  1  0  0
  7  9 01  0  1  0  0
  7 10 02  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
  6  8 01  0  1  0  0
 11 12 02  0  1  0  0
M  END

5-(3-fluorophenyl)isoxazole

₹ 0.00 0.00

Chemical Name - 5-(3-fluorophenyl)isoxazole
Mol Weight - 163.151
Smiles - Fc1cc(-c2ccno2)ccc1

Property Name	Property Value
Mol Name	5-(3-fluorophenyl)isoxazole
Molweight	163.151
Monoisotopic Mass	163.043342
Clogp	1.9209
Clogs	-2.805
H Acceptors	2
Total Surface Area	127.82
Relative Psa	0.19621
Polar Surface Area	26.03
Druglikeness	-1.0725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.35136
Molecular Complexity	0.69828
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	1
Smiles	Fc1cc(-c2ccno2)ccc1
InChIKey	InChI=1S/C9H6FNO/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H
InChI	VVZUMUHSTOCPTH-UHFFFAOYSA-N

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5-(3-fluorophenyl)isoxazole