Chem 12 Benzisoxazole 46 Diol Dsrpl

Compound 125
  CheckMol                        TMF02:r0:m0
MF=C7H5NO3 MW=151.12
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    0.8683    1.2204   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4316    0.4694   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0235    2.4407   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4433    1.9714   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7341   -0.2582   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.7224   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0366    0.4928   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7576    4.2244   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0484    1.9831   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3391   -0.2464   -0.0000 O   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
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9  1  0  0  0  0
  7 10 02  0  1  0  0
  8 11  1  0  0  0  0
  4  5 01  0  1  0  0
  8 10 01  0  1  0  0
M  END

1,2-Benzisoxazole-4,6-diol

₹ 0.00 0.00

Chemical Name - 1,2-Benzisoxazole-4,6-diol
Mol Weight - 151.121
Smiles - Oc1cc(onc2)c2c(O)c1

Property Name	Property Value
Mol Name	1,2-Benzisoxazole-4,6-diol
Molweight	151.121
Monoisotopic Mass	151.026944
Clogp	0.6954
Clogs	-1.622
H Acceptors	4
H Donors	2
Total Surface Area	109.01
Relative Psa	0.47042
Polar Surface Area	66.49
Druglikeness	-0.17228
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Complexity	0.72397
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	2
Aromatic Nitrogens	1
Smiles	Oc1cc(onc2)c2c(O)c1
InChIKey	InChI=1S/C7H5NO3/c9-4-1-6(10)5-3-8-11-7(5)2-4/h1-3,9-10H
InChI	HDUPPFFCKGKANL-UHFFFAOYSA-N

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1,2-Benzisoxazole-4,6-diol