
 CHEMBL268881

 36 37  0  0  0  0  0  0  0  0999 V2000
    2.2536   -0.2509    1.2626 C   0  0  0  0  0
    2.9820    0.0806   -0.0508 C   0  0  0  0  0
    2.5350   -0.9530   -1.0990 C   0  0  0  0  0
    2.7205    1.4779   -0.4841 N   0  0  0  0  0
    3.3435    1.7854   -1.7939 C   0  0  0  0  0
    3.1419    3.2528   -2.2024 C   0  0  0  0  0
    3.6990    4.1427   -1.2326 O   0  0  0  0  0
    3.0641    3.9383    0.0413 C   0  0  0  0  0
    3.2299    2.4661    0.5071 C   0  0  0  0  0
    3.6645    4.8963    1.0555 C   0  0  0  0  0
    5.0171    5.2718    0.9919 C   0  0  0  0  0
    5.5557    6.1309    1.9493 C   0  0  0  0  0
    4.7588    6.6186    2.9833 C   0  0  0  0  0
    3.4175    6.2523    3.0652 C   0  0  0  0  0
    2.8738    5.3934    2.1051 C   0  0  0  0  0
    5.3046    7.4584    3.9133 O   0  0  0  0  0
    6.8701    6.5008    1.8806 O   0  0  0  0  0
    2.6593    0.3109    2.1092 H   0  0  0  0  0
    2.3661   -1.3118    1.5135 H   0  0  0  0  0
    1.1814   -0.0380    1.1873 H   0  0  0  0  0
    4.0589   -0.0595    0.1139 H   0  0  0  0  0
    1.4900   -0.7997   -1.3900 H   0  0  0  0  0
    2.6264   -1.9719   -0.7058 H   0  0  0  0  0
    3.1562   -0.9130   -1.9992 H   0  0  0  0  0
    2.9009    1.1715   -2.5844 H   0  0  0  0  0
    4.4194    1.5721   -1.7506 H   0  0  0  0  0
    3.6510    3.4423   -3.1530 H   0  0  0  0  0
    2.0794    3.4844   -2.3454 H   0  0  0  0  0
    1.9984    4.1780   -0.0771 H   0  0  0  0  0
    4.2925    2.2649    0.7021 H   0  0  0  0  0
    2.6915    2.3584    1.4549 H   0  0  0  0  0
    5.6386    4.8889    0.1869 H   0  0  0  0  0
    2.7833    6.6232    3.8641 H   0  0  0  0  0
    1.8248    5.1135    2.1815 H   0  0  0  0  0
    4.6155    7.7263    4.5394 H   0  0  0  0  0
    7.2486    6.1485    1.0606 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 29  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 17 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL268881

>  <PubChem CID>
360400

>  <Formula>
C13H19NO3

>  <Molecular Weight>
237.299000

>  <IUPAC Name>
4-(4-propan-2-ylmorpholin-2-yl)benzene-1,2-diol

>  <XlogP>
1.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N1CCOC(C1)C2=CC(=C(C=C2)O)O

>  <Isomeric SMILES>
CC(C)N1CCOC(C1)C2=CC(=C(C=C2)O)O

>  <InChI Std. ID>
InChI=1S/C13H19NO3/c1-9(2)14-5-6-17-13(8-14)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,15-16H,5-6,8H2,1-2H3

>  <InChI Key>
SUYJAACXNVNFGP-UHFFFAOYSA-N

