
 SCHEMBL6352033

 31 31  0  0  0  0  0  0  0  0999 V2000
   -1.4065   -0.2688    1.6048 C   0  0  0  0  0
   -0.3477   -0.8436    2.3040 C   0  0  0  0  0
    0.9515   -0.7622    1.7996 C   0  0  0  0  0
    1.2091   -0.1007    0.5884 C   0  0  0  0  0
    0.1330    0.4828   -0.0993 C   0  0  0  0  0
   -1.1663    0.3930    0.4031 C   0  0  0  0  0
    2.6041   -0.0257    0.0127 C   0  0  0  0  0
    3.4441    0.7171    0.9150 O   0  0  0  0  0
    3.4742   -1.5831   -0.3010 P   0  0  0  0  0
    3.7485   -2.3862    0.9365 O   0  0  0  0  0
    2.7282   -2.4545   -1.6631 C   0  0  0  0  0
    1.3090   -2.9700   -1.4693 C   0  0  0  0  0
    1.1813   -3.9676   -0.3215 C   0  0  0  0  0
   -0.2044   -4.4147   -0.2212 N   0  0  0  0  0
    4.8791   -1.0753   -0.9346 O   0  0  0  0  0
   -2.4175   -0.3312    1.9995 H   0  0  0  0  0
   -0.5330   -1.3548    3.2453 H   0  0  0  0  0
    1.7569   -1.2300    2.3633 H   0  0  0  0  0
    0.2953    1.0081   -1.0379 H   0  0  0  0  0
   -1.9915    0.8437   -0.1416 H   0  0  0  0  0
    2.5888    0.5357   -0.9275 H   0  0  0  0  0
    3.5215    0.1763    1.7234 H   0  0  0  0  0
    3.3802   -3.2961   -1.9232 H   0  0  0  0  0
    2.7301   -1.7848   -2.5308 H   0  0  0  0  0
    0.9859   -3.4475   -2.4037 H   0  0  0  0  0
    0.6333   -2.1249   -1.3067 H   0  0  0  0  0
    1.4704   -3.5168    0.6300 H   0  0  0  0  0
    1.8292   -4.8319   -0.4974 H   0  0  0  0  0
   -0.7994   -3.6188    0.0142 H   0  0  0  0  0
   -0.2876   -5.0637    0.5614 H   0  0  0  0  0
    5.3968   -0.5233   -0.3119 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6 20  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  8 22  1  0  0  0
  9 15  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6352033

>  <PubChem CID>
10059688

>  <Formula>
C10H16NO3P

>  <Molecular Weight>
229.216000

>  <IUPAC Name>
3-aminopropyl-[hydroxy(phenyl)methyl]phosphinic acid

>  <XlogP>
-3.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C(O)P(=O)(CCCN)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(O)P(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C10H16NO3P/c11-7-4-8-15(13,14)10(12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8,11H2,(H,13,14)

>  <InChI Key>
QQRKQWHTJAJGJJ-UHFFFAOYSA-N

