
 CHEMBL114027

 40 39  0  0  0  0  0  0  0  0999 V2000
    9.6171    0.4475   -4.0934 C   0  0  0  0  0
    9.3038    1.6867   -4.9150 C   0  0  0  0  0
    8.5309    2.7324   -4.1184 C   0  0  0  0  0
    9.3633    3.2734   -3.0911 O   0  0  0  0  0
    8.6341    4.0770   -2.1495 C   0  0  0  0  0
    9.4531    4.3721   -1.0132 O   0  0  0  0  0
    9.7539    3.2006   -0.2557 C   0  0  0  0  0
   10.5413    3.6138    0.9828 C   0  0  0  0  0
   10.9033    2.4191    1.8483 C   0  0  0  0  0
    8.2311    5.6639   -2.9449 P   0  0  0  0  0
    7.2790    5.5346   -4.0981 O   0  0  0  0  0
    7.6823    6.8191   -1.6959 C   0  0  0  0  0
    7.4115    8.2392   -2.1942 C   0  0  0  0  0
    6.2853    8.3091   -3.2271 C   0  0  0  0  0
    5.9608    9.7004   -3.5312 N   0  0  0  0  0
    9.6586    6.2570   -3.4314 O   0  0  0  0  0
   10.1139   -0.3008   -4.7196 H   0  0  0  0  0
    8.7006    0.0003   -3.6951 H   0  0  0  0  0
   10.2790    0.6836   -3.2553 H   0  0  0  0  0
    8.7114    1.3955   -5.7897 H   0  0  0  0  0
   10.2443    2.1178   -5.2769 H   0  0  0  0  0
    7.6246    2.2914   -3.6883 H   0  0  0  0  0
    8.2496    3.5253   -4.8131 H   0  0  0  0  0
    7.7153    3.5786   -1.8191 H   0  0  0  0  0
   10.3491    2.5091   -0.8627 H   0  0  0  0  0
    8.8230    2.7043    0.0417 H   0  0  0  0  0
    9.9548    4.3319    1.5683 H   0  0  0  0  0
   11.4529    4.1433    0.6812 H   0  0  0  0  0
   10.0050    1.8905    2.1844 H   0  0  0  0  0
   11.4554    2.7452    2.7356 H   0  0  0  0  0
   11.5322    1.7118    1.2988 H   0  0  0  0  0
    8.4427    6.8713   -0.9083 H   0  0  0  0  0
    6.7761    6.4180   -1.2291 H   0  0  0  0  0
    8.3301    8.6527   -2.6275 H   0  0  0  0  0
    7.1546    8.8628   -1.3287 H   0  0  0  0  0
    5.3895    7.8067   -2.8487 H   0  0  0  0  0
    6.5808    7.8251   -4.1601 H   0  0  0  0  0
    6.7785   10.1474   -3.9466 H   0  0  0  0  0
    5.2442    9.7140   -4.2574 H   0  0  0  0  0
   10.1629    5.6210   -3.9783 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 16  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL114027

>  <PubChem CID>
9856380

>  <Formula>
C10H24NO4P

>  <Molecular Weight>
253.279000

>  <IUPAC Name>
3-aminopropyl(dipropoxymethyl)phosphinic acid

>  <XlogP>
-2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCOC(OCCC)P(=O)(CCCN)O

>  <Isomeric SMILES>
CCCOC(OCCC)P(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C10H24NO4P/c1-3-7-14-10(15-8-4-2)16(12,13)9-5-6-11/h10H,3-9,11H2,1-2H3,(H,12,13)

>  <InChI Key>
QQACCNCDFJQPCM-UHFFFAOYSA-N

