Chem 1 2 Amino 45 Dimethoxyphenylethanone AlkaliMetal

Compound 271
  CheckMol                        TMF02:r0:m0
MF=C10H13NO3 MW=195.22
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946    0.7601   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2827    2.2804   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8837    0.7957   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5773   -1.4727   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8719    2.3160   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1783    0.0594   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8719   -2.2091   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1664   -1.4371   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8600   -3.7056   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4610   -2.1735   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1546   -4.4419   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7556   -1.4015   -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 02  0  1  0  0
  3  6 01  0  1  0  0
  5  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 10 01  0  1  0  0
M  END

1-(2-Amino-4,5-Dimethoxyphenyl)Ethanone

₹ 0.00 0.00

Chemical Name - 1-(2-Amino-4,5-Dimethoxyphenyl)Ethanone
Mol Weight - 195.217
Smiles - CC(c(cc(c(OC)c1)OC)c1N)=O

Property Name	Property Value
Mol Name	1-(2-Amino-4,5-Dimethoxyphenyl)Ethanone
Molweight	195.217
Monoisotopic Mass	195.089544
Clogp	0.7135
Clogs	-2.412
H Acceptors	4
H Donors	1
Total Surface Area	156.31
Relative Psa	0.30907
Polar Surface Area	61.55
Druglikeness	-1.3978
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.44327
Molecular Complexity	0.70389
Fragments	1
Non H Atoms	14
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
Amines	1
Aromatic Amines	1
Smiles	CC(c(cc(c(OC)c1)OC)c1N)=O
InChIKey	InChI=1S/C10H13NO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,11H2,1-3H3
InChI	KGKWXEGYKGTMAK-UHFFFAOYSA-N

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1 - 1-(2-Amino-4,5-Dimethoxyphenyl)Ethanone
2 - 1-(2-Amino-4,5-Dimethoxyphenyl)Ethanone

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1-(2-Amino-4,5-Dimethoxyphenyl)Ethanone