
 CHEMBL133231

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.4876    1.4000   -0.1200 C   0  0  0  0  0
   -2.5643    0.5857   -0.8284 C   0  0  0  0  0
   -2.8116   -0.7450   -0.1010 C   0  0  0  0  0
   -1.5130   -1.5567    0.0781 C   0  0  0  0  0
   -0.2100   -0.7790    0.0991 C   0  0  0  0  0
   -0.2015    0.6248   -0.0157 C   0  0  0  0  0
    1.0162    1.3240   -0.0033 C   0  0  0  0  0
    2.2271    0.6422    0.0822 C   0  0  0  0  0
    2.2316   -0.7460    0.1746 C   0  0  0  0  0
    1.0249   -1.4514    0.1900 C   0  0  0  0  0
    1.1163   -3.1759    0.3008 Cl  0  0  0  0  0
   -3.8829   -1.5747   -0.8067 C   0  0  0  0  0
   -5.0950   -1.1434   -0.2061 O   0  0  0  0  0
   -4.6983   -0.6586    0.9929 C   0  0  0  0  0
   -3.4451   -0.4402    1.2080 N   0  0  0  0  0
   -5.7189   -0.4343    1.8405 N   0  0  0  0  0
   -1.8111    1.6872    0.8877 H   0  0  0  0  0
   -1.3244    2.3251   -0.6858 H   0  0  0  0  0
   -3.4836    1.1822   -0.8809 H   0  0  0  0  0
   -2.2533    0.3887   -1.8630 H   0  0  0  0  0
   -1.4351   -2.2578   -0.7638 H   0  0  0  0  0
   -1.5819   -2.1501    0.9993 H   0  0  0  0  0
    1.0241    2.4103   -0.0711 H   0  0  0  0  0
    3.1645    1.1920    0.0751 H   0  0  0  0  0
    3.1790   -1.2753    0.2341 H   0  0  0  0  0
   -3.7808   -2.6513   -0.6256 H   0  0  0  0  0
   -3.9152   -1.4041   -1.8872 H   0  0  0  0  0
   -6.6095   -0.2780    1.3848 H   0  0  0  0  0
   -5.4960    0.2194    2.5786 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL133231

>  <PubChem CID>
9837600

>  <Formula>
C12H13ClN2O

>  <Molecular Weight>
236.699000

>  <IUPAC Name>
5-chlorospiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2(CC3=C1C=CC=C3Cl)COC(=N2)N

>  <Isomeric SMILES>
C1CC2(CC3=C1C=CC=C3Cl)COC(=N2)N

>  <InChI Std. ID>
InChI=1S/C12H13ClN2O/c13-10-3-1-2-8-4-5-12(6-9(8)10)7-16-11(14)15-12/h1-3H,4-7H2,(H2,14,15)

>  <InChI Key>
OAXNLMLMEYQSSS-UHFFFAOYSA-N

