
 CHEMBL398480

 33 34  0  0  0  0  0  0  0  0999 V2000
    2.2775    1.9680   -3.5302 C   0  0  0  0  0
    2.4584    1.0667   -2.5550 C   0  0  0  0  0
    3.6383    0.1435   -2.4584 C   0  0  0  0  0
    4.3335    0.2732   -1.1718 N   0  0  0  0  0
    5.3782   -0.7656   -1.0240 C   0  0  0  0  0
    6.6275   -0.5269   -1.8905 C   0  0  0  0  0
    7.2048    0.7589   -1.6422 O   0  0  0  0  0
    6.2473    1.8117   -1.8715 C   0  0  0  0  0
    4.9859    1.5963   -0.9944 C   0  0  0  0  0
    6.8900    3.1535   -1.5724 C   0  0  0  0  0
    7.8783    3.2876   -0.5843 C   0  0  0  0  0
    8.4332    4.5375   -0.3173 C   0  0  0  0  0
    8.0165    5.6662   -1.0107 C   0  0  0  0  0
    7.0304    5.5486   -1.9880 C   0  0  0  0  0
    6.4681    4.3006   -2.2663 C   0  0  0  0  0
    9.4001    4.6938    0.6318 O   0  0  0  0  0
    1.3973    2.6047   -3.5371 H   0  0  0  0  0
    2.9942    2.0938   -4.3339 H   0  0  0  0  0
    1.7101    0.9758   -1.7701 H   0  0  0  0  0
    4.3105    0.2865   -3.3115 H   0  0  0  0  0
    3.2401   -0.8758   -2.5447 H   0  0  0  0  0
    4.9634   -1.7607   -1.2251 H   0  0  0  0  0
    5.6852   -0.7723    0.0305 H   0  0  0  0  0
    7.3871   -1.2770   -1.6484 H   0  0  0  0  0
    6.4058   -0.6227   -2.9587 H   0  0  0  0  0
    5.9881    1.7902   -2.9377 H   0  0  0  0  0
    5.2760    1.6638    0.0638 H   0  0  0  0  0
    4.2668    2.4101   -1.1438 H   0  0  0  0  0
    8.2073    2.4103   -0.0352 H   0  0  0  0  0
    8.4591    6.6330   -0.7905 H   0  0  0  0  0
    6.7002    6.4292   -2.5317 H   0  0  0  0  0
    5.6963    4.2292   -3.0296 H   0  0  0  0  0
    9.6100    3.8187    0.9979 H   0  0  0  0  0
  1  2  2  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
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 26  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL398480

>  <PubChem CID>
44443903

>  <Formula>
C13H17NO2

>  <Molecular Weight>
219.284000

>  <IUPAC Name>
3-(4-prop-2-enylmorpholin-2-yl)phenol

>  <XlogP>
2.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C=CCN1CCOC(C1)C2=CC(=CC=C2)O

>  <Isomeric SMILES>
C=CCN1CCOC(C1)C2=CC(=CC=C2)O

>  <InChI Std. ID>
InChI=1S/C13H17NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h2-5,9,13,15H,1,6-8,10H2

>  <InChI Key>
ABXIURKZPIWOPL-UHFFFAOYSA-N

