Chem Ethyl5 4 Fluorophenylisoxazole 3 Carboxylate Dsrpl

Compound 335
  CheckMol                        TMF02:r0:m0
MF=C12H10FNO3 MW=235.22
 17 18  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021    1.3813   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.2952    2.6091   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0779    1.5466   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.3070    3.9905   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6800    2.9279   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.7827    4.1557   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.3848    5.5371   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.6292    6.8475   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    3.8370    5.8558   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6210    7.9691   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.9787    7.3552   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2655    8.1108   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2537    9.6220   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5524    7.3670   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8392    8.1226   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1261    7.3788   -0.0000 C   0  0  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 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6  7 01  0  1  0  0
 11 12 02  0  1  0  0
M  END

ethyl5-(4-fluorophenyl)isoxazole-3-carboxylate

₹ 0.00 0.00

Chemical Name - ethyl5-(4-fluorophenyl)isoxazole-3-carboxylate
Mol Weight - 235.213
Smiles - CCOC(c1noc(-c(cc2)ccc2F)c1)=O

Property Name	Property Value
Mol Name	ethyl5-(4-fluorophenyl)isoxazole-3-carboxylate
Molweight	235.213
Monoisotopic Mass	235.064472
Clogp	2.2942
Clogs	-3.27
H Acceptors	4
Total Surface Area	181.59
Relative Psa	0.26499
Polar Surface Area	52.33
Druglikeness	-3.3534
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.70588
Molecular Flexibility	0.38447
Molecular Complexity	0.7177
Fragments	1
Non H Atoms	17
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	3
Symmetric Atoms	2
Aromatic Nitrogens	1
Smiles	CCOC(c1noc(-c(cc2)ccc2F)c1)=O
InChIKey	InChI=1S/C12H10FNO3/c1-2-16-12(15)10-7-11(17-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChI	IYDBYHCVVNAFSM-UHFFFAOYSA-N

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ethyl5-(4-fluorophenyl)isoxazole-3-carboxylate