
 SCHEMBL6360491

 28 28  0  0  0  0  0  0  0  0999 V2000
   -0.5173   -1.1332    0.3971 C   0  0  0  0  0
   -1.1123    0.2402    0.5776 C   0  0  0  0  0
   -0.0257    1.1463    0.0396 C   0  0  0  0  0
    1.2329    0.4677    0.2702 O   0  0  0  0  0
    0.9528   -0.8873    0.6534 C   0  0  0  0  0
   -0.1034    1.4799   -1.7272 P   0  0  0  0  0
   -0.1896    0.2727   -2.6113 O   0  0  0  0  0
   -1.3912    2.6911   -1.9778 C   0  0  0  0  0
   -1.7530    2.9678   -3.4326 C   0  0  0  0  0
   -0.6044    3.5962   -4.2165 C   0  0  0  0  0
   -1.0544    3.9352   -5.5631 N   0  0  0  0  0
    1.2661    2.2991   -1.9970 O   0  0  0  0  0
   -0.9454   -1.8844    1.0671 H   0  0  0  0  0
   -0.6688   -1.4781   -0.6320 H   0  0  0  0  0
   -1.2587    0.4322    1.6467 H   0  0  0  0  0
   -2.0722    0.3626    0.0703 H   0  0  0  0  0
   -0.0015    2.1001    0.5762 H   0  0  0  0  0
    1.5960   -1.5705    0.0925 H   0  0  0  0  0
    1.1870   -0.9841    1.7183 H   0  0  0  0  0
   -1.1176    3.6237   -1.4714 H   0  0  0  0  0
   -2.2924    2.3197   -1.4762 H   0  0  0  0  0
   -2.6232    3.6358   -3.4515 H   0  0  0  0  0
   -2.0571    2.0300   -3.9127 H   0  0  0  0  0
    0.2407    2.9060   -4.2914 H   0  0  0  0  0
   -0.2574    4.5069   -3.7162 H   0  0  0  0  0
   -1.3260    3.0801   -6.0489 H   0  0  0  0  0
   -0.2674    4.3139   -6.0890 H   0  0  0  0  0
    2.0536    1.7522   -1.7887 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6 12  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6360491

>  <PubChem CID>
9877609

>  <Formula>
C7H16NO3P

>  <Molecular Weight>
193.183000

>  <IUPAC Name>
3-aminopropyl(oxolan-2-yl)phosphinic acid

>  <XlogP>
-3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(OC1)P(=O)(CCCN)O

>  <Isomeric SMILES>
C1CC(OC1)P(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C7H16NO3P/c8-4-2-6-12(9,10)7-3-1-5-11-7/h7H,1-6,8H2,(H,9,10)

>  <InChI Key>
QJGJPGVOAJASMV-UHFFFAOYSA-N

