12834
  -OEChem-05112413062D

 27 28  0     1  0  0  0  0  0999 V2000
    2.0000    0.0103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.9223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.9718    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    1.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4194    1.4332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -0.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0398   -0.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9154   -0.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9628    0.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    2.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 18  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12834

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
198

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAQAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHQAQAAAADCjBHgw+wPLJkACgAzRnRACCgCAxAiAI2aA4ZJgIIOLAkZGEIAhgkADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(5-fluoro-1H-indol-3-yl)propan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-(5-fluoro-1H-indol-3-yl)-2-propanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(5-fluoro-1<I>H</I>-indol-3-yl)propan-2-amine

> <PUBCHEM_IUPAC_NAME>
1-(5-fluoro-1H-indol-3-yl)propan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(5-fluoranyl-1H-indol-3-yl)propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(5-fluoro-1H-indol-3-yl)-1-methyl-ethyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
CTGFDWBZMCPVED-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.1

> <PUBCHEM_EXACT_MASS>
192.10627659

> <PUBCHEM_MOLECULAR_FORMULA>
C11H13FN2

> <PUBCHEM_MOLECULAR_WEIGHT>
192.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CC1=CNC2=C1C=C(C=C2)F)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(CC1=CNC2=C1C=C(C=C2)F)N

> <PUBCHEM_CACTVS_TPSA>
41.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
192.10627659

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
12  14  8
13  14  8
2  8  8
2  9  8
6  3  3
5  7  8
5  9  8
7  11  8
7  8  8
8  12  8

$$$$