4198911
  -OEChem-05211309292D

 32 33  0     0  0  0  0  0  0999 V2000
    2.0000   -3.9050    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4198911

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAgAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgA4AAAADASjmAIwBoBiBACIAiFSEACCCAAkIAIaqAEGDMgMJjKEtRuCOSDkwBEIqYeY3GCOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(4-iodophenoxy)methyl]benzohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(4-iodophenoxy)methyl]benzohydrazide

> <PUBCHEM_IUPAC_NAME>
3-[(4-iodophenoxy)methyl]benzohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(4-iodanylphenoxy)methyl]benzohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(4-iodophenoxy)methyl]benzohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H13IN2O2/c15-12-4-6-13(7-5-12)19-9-10-2-1-3-11(8-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
CWDQJDGIOQCBNV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3

> <PUBCHEM_EXACT_MASS>
368.002176

> <PUBCHEM_MOLECULAR_FORMULA>
C14H13IN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
368.16969

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)COC2=CC=C(C=C2)I)C(=O)NN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)COC2=CC=C(C=C2)I)C(=O)NN

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.002176

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  12  8
13  15  8
13  16  8
15  17  8
16  18  8
17  19  8
18  19  8
6  10  8
6  8  8
8  9  8
9  11  8

$$$$