15320
  -OEChem-05142410232D

 24 24  0     0  0  0  0  0  0999 V2000
    2.8660    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15320

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
169

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHgAYAAAACAiBAAABAABiAAAoAQAgEAAQAAAAAAAGAAAwAAAAAAIAAAAAAAAQCAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(cyclohexylideneamino)urea

> <PUBCHEM_IUPAC_CAS_NAME>
(cyclohexylideneamino)urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
(cyclohexylideneamino)urea

> <PUBCHEM_IUPAC_NAME>
(cyclohexylideneamino)urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(cyclohexylideneamino)urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(cyclohexylideneamino)urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11)

> <PUBCHEM_IUPAC_INCHIKEY>
KZDDDHJBINUIKQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.2

> <PUBCHEM_EXACT_MASS>
155.105862047

> <PUBCHEM_MOLECULAR_FORMULA>
C7H13N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
155.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(=NNC(=O)N)CC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(=NNC(=O)N)CC1

> <PUBCHEM_CACTVS_TPSA>
67.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
155.105862047

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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

$$$$