
 CHEMBL40679

 45 47  0  0  0  0  0  0  0  0999 V2000
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    4.1753   -1.0840    0.5895 C   0  0  0  0  0
    5.0569   -0.0238    0.8666 C   0  0  0  0  0
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    1.9307   -1.9227    0.2228 N   0  0  0  0  0
    0.4806   -1.7428    0.1874 C   0  0  0  0  0
   -0.2423   -3.0566   -0.1761 C   0  0  0  0  0
   -0.2298   -4.1060    0.9536 C   0  0  0  0  0
   -0.5862   -3.5733    2.2380 O   0  0  0  0  0
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    5.8401   -2.4298    0.2779 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 22  1  0  0  0
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  1 24  1  0  0  0
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  3 25  1  0  0  0
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  7  8  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL40679

>  <PubChem CID>
10643362

>  <Formula>
C17H24N2O2

>  <Molecular Weight>
288.391000

>  <IUPAC Name>
1-(dicyclopropylmethylideneamino)oxy-3-(2-methylanilino)propan-2-ol

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC=C1NCC(CON=C(C2CC2)C3CC3)O

>  <Isomeric SMILES>
CC1=CC=CC=C1NCC(CON=C(C2CC2)C3CC3)O

>  <InChI Std. ID>
InChI=1S/C17H24N2O2/c1-12-4-2-3-5-16(12)18-10-15(20)11-21-19-17(13-6-7-13)14-8-9-14/h2-5,13-15,18,20H,6-11H2,1H3

>  <InChI Key>
AZJJSKOUHVSHNT-UHFFFAOYSA-N

