Chem 23 Dimethoxybenzaldehydeoxime Dsrpl

Compound 249
  CheckMol                        TMF02:r0:m0
MF=C9H11NO3 MW=181.19
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2881   -0.7327   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5127   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2763   -2.2218   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5645    1.5363   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8644   -0.7091   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5645   -2.9663   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0355   -2.9663   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    2.3045   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526   -2.1981   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3472   -2.2099   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6590   -2.9545   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6  1  0  0  0  0
  4  7 01  0  1  0  0
  5  8 02  0  1  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11 02  0  1  0  0
  9 12  2  3  0  0  0
 12 13  1  0  0  0  0
  8 11 01  0  1  0  0
M  END

2,3-Dimethoxybenzaldehydeoxime

₹ 0.00 0.00

Chemical Name - 2,3-Dimethoxybenzaldehydeoxime
Mol Weight - 181.19
Smiles - COc(cccc1C=NO)c1OC

Property Name	Property Value
Mol Name	2,3-Dimethoxybenzaldehydeoxime
Molweight	181.19
Monoisotopic Mass	181.073894
Clogp	2.0743
Clogs	-2.351
H Acceptors	4
H Donors	1
Total Surface Area	148.89
Relative Psa	0.29962
Polar Surface Area	51.05
Druglikeness	-0.86623
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.44315
Molecular Complexity	0.70078
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Smiles	COc(cccc1C=NO)c1OC
InChIKey	InChI=1S/C9H11NO3/c1-12-8-5-3-4-7(6-10-11)9(8)13-2/h3-6,11H,1-2H3
InChI	GKAIQNACVNFHCU-UHFFFAOYSA-N

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2,3-Dimethoxybenzaldehydeoxime