Chem 5 4 Methoxyphenylisoxazole 3 Carbohydrazide Dsrpl

Compound 337
  CheckMol                        TMF02:r0:m0
MF=C11H11N3O3 MW=233.23
 17 18  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    1.5098   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    2.2647   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2739    2.2647   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6304    1.5216   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6304    1.6632   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.4154    3.7627   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6212    2.7837   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    2.8663    4.0812   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.4678    5.4613   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5714    6.6880   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9423    5.6264   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.1730    8.0681   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5438    7.0065   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.6474    8.2332   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2490    9.6132   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7234    9.7784   -0.0000 C   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
 16 17  1  0  0  0  0
  8  9 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

5-(4-methoxyphenyl)isoxazole-3-carbohydrazide

₹ 0.00 0.00

Chemical Name - 5-(4-methoxyphenyl)isoxazole-3-carbohydrazide
Mol Weight - 233.226
Smiles - COc(cc1)ccc1-c1cc(C(NN)=O)no1

Property Name	Property Value
Mol Name	5-(4-methoxyphenyl)isoxazole-3-carbohydrazide
Molweight	233.226
Monoisotopic Mass	233.080042
Clogp	0.1273
Clogs	-2.899
H Acceptors	6
H Donors	2
Total Surface Area	181.46
Relative Psa	0.41249
Polar Surface Area	90.38
Druglikeness	-2.2722
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.70588
Molecular Flexibility	0.39437
Molecular Complexity	0.67534
Fragments	1
Non H Atoms	17
Non Ch Atoms	6
Electronegative Atoms	6
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(cc1)ccc1-c1cc(C(NN)=O)no1
InChIKey	InChI=1S/C11H11N3O3/c1-16-8-4-2-7(3-5-8)10-6-9(14-17-10)11(15)13-12/h2-6H,12H2,1H3,(H,13,15)
InChI	DCVYLONLJNPNND-UHFFFAOYSA-N

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5-(4-methoxyphenyl)isoxazole-3-carbohydrazide