
 SCHEMBL8959504

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.8737   -0.8605   -3.4683 C   0  0  0  0  0
    2.7168   -0.2379   -2.6848 C   0  0  0  0  0
    2.5996   -0.8109   -1.2581 C   0  0  0  0  0
    2.2483   -2.2230   -1.2163 N   0  0  0  0  0
    3.1632   -3.2349   -1.0789 C   0  0  0  0  0
    2.4784   -4.4258   -1.0460 C   0  0  0  0  0
    1.0865   -4.1359   -1.1416 C   0  0  0  0  0
    0.9671   -2.7407   -1.2468 C   0  0  0  0  0
   -0.2857   -2.1074   -1.3553 C   0  0  0  0  0
   -1.4361   -2.9047   -1.3499 C   0  0  0  0  0
   -1.3397   -4.2855   -1.2466 C   0  0  0  0  0
   -0.0968   -4.9022   -1.1460 C   0  0  0  0  0
    0.0872   -6.5976   -1.0155 Cl  0  0  0  0  0
   -2.4666   -5.0134   -1.2435 F   0  0  0  0  0
    2.9236    1.2187   -2.6567 N   0  0  0  0  0
    3.9848   -0.3861   -4.4501 H   0  0  0  0  0
    3.7010   -1.9265   -3.6471 H   0  0  0  0  0
    4.8247   -0.7547   -2.9338 H   0  0  0  0  0
    1.7880   -0.4305   -3.2343 H   0  0  0  0  0
    1.8318   -0.2735   -0.6879 H   0  0  0  0  0
    3.5412   -0.6883   -0.7079 H   0  0  0  0  0
    4.2251   -3.0316   -1.0242 H   0  0  0  0  0
    2.9284   -5.4062   -0.9522 H   0  0  0  0  0
   -0.3722   -1.0281   -1.4394 H   0  0  0  0  0
   -2.4186   -2.4475   -1.4269 H   0  0  0  0  0
    3.7998    1.4460   -2.1867 H   0  0  0  0  0
    2.1811    1.6756   -2.1291 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2 15  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  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 15 26  1  0  0  0
 15 27  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL8959504

>  <PubChem CID>
10823155

>  <Formula>
C11H12ClFN2

>  <Molecular Weight>
226.679000

>  <IUPAC Name>
(2R)-1-(4-chloro-5-fluoroindol-1-yl)propan-2-amine

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(CN1C=CC2=C1C=CC(=C2Cl)F)N

>  <Isomeric SMILES>
C[C@H](CN1C=CC2=C1C=CC(=C2Cl)F)N

>  <InChI Std. ID>
InChI=1S/C11H12ClFN2/c1-7(14)6-15-5-4-8-10(15)3-2-9(13)11(8)12/h2-5,7H,6,14H2,1H3/t7-/m1/s1

>  <InChI Key>
BJHBBPWFHWHWOG-SSDOTTSWSA-N

