Chem Methyl5 4 Hydroxyphenylisoxazole 3 Carboxylate Dsrpl

Compound 327
  CheckMol                        TMF02:r0:m0
MF=C11H9NO4 MW=219.20
 16 17  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   -1.4908   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2778   -2.2362   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3251   -2.2362   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5675   -1.4790   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7095   -1.6091   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4908   -3.7151   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7270   -2.7095   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9697   -4.0109   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.5968   -5.3716   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0995   -5.5136   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7213   -6.5784   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.7265   -6.8742   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3484   -7.9391   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.8510   -8.0810   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4781   -9.4417   -0.0000 O   0  0  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
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  9 10  1  0  0  0  0
 10 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
 15 16  1  0  0  0  0
  8  9 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

methyl5-(4-hydroxyphenyl)isoxazole-3-carboxylate

₹ 0.00 0.00

Chemical Name - methyl5-(4-hydroxyphenyl)isoxazole-3-carboxylate
Mol Weight - 219.195
Smiles - COC(c1noc(-c(cc2)ccc2O)c1)=O

Property Name	Property Value
Mol Name	methyl5-(4-hydroxyphenyl)isoxazole-3-carboxylate
Molweight	219.195
Monoisotopic Mass	219.053159
Clogp	1.4414
Clogs	-2.36
H Acceptors	5
H Donors	1
Total Surface Area	167.83
Relative Psa	0.36477
Polar Surface Area	72.56
Druglikeness	-0.3573
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6875
Molecular Flexibility	0.38168
Molecular Complexity	0.66485
Fragments	1
Non H Atoms	16
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	3
Symmetric Atoms	2
Aromatic Nitrogens	1
Smiles	COC(c1noc(-c(cc2)ccc2O)c1)=O
InChIKey	InChI=1S/C11H9NO4/c1-15-11(14)9-6-10(16-12-9)7-2-4-8(13)5-3-7/h2-6,13H,1H3
InChI	AZJBPTJJWQRQPF-UHFFFAOYSA-N

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methyl5-(4-hydroxyphenyl)isoxazole-3-carboxylate