5353370
  DSViewer          3D                             0

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    5.5198    1.2347    0.8903 H   0  0  0  0  0  0  0  0  0 26
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    4.2288   -0.9237    0.8903 H   0  0  0  0  0  0  0  0  0 28
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M  END
> <PUBCHEM_COMPOUND_CID>
5353370

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
236

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACACBgAACAABAAACIACFSEAAAAAAgAAAICAEAAAgAABIAgQAAAAAAkAAIAAMYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-octadec-9-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-9-octadecenamide

> <PUBCHEM_IUPAC_NAME>
(E)-octadec-9-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-octadec-9-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-octadec-9-enamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9+

> <PUBCHEM_IUPAC_INCHIKEY>
FATBGEAMYMYZAF-MDZDMXLPSA-N

> <PUBCHEM_XLOGP3_AA>
6.6

> <PUBCHEM_EXACT_MASS>
281.272

> <PUBCHEM_MOLECULAR_FORMULA>
C18H35NO

> <PUBCHEM_MOLECULAR_WEIGHT>
281.477

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCC=CCCCCCCCC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCC/C=C/CCCCCCCC(=O)N

> <PUBCHEM_CACTVS_TPSA>
43.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.272

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
