Mrv1572004251602362D          

 15 12  0  0  0  0            999 V2000
   -2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1268    1.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5393    0.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1268   -0.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5393   -1.0003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018   -0.2858    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6503    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
  9  4  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
M  CHG  2   9   1  14  -1
M  END
> <DATABASE_ID>
CHEM021156

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.[O-]C(=N)C=C.C[N+](C)(CC=C)CC=C

> <INCHI_IDENTIFIER>
InChI=1S/C8H16N.C3H5NO.ClH/c1-5-7-9(3,4)8-6-2;1-2-3(4)5;/h5-6H,1-2,7-8H2,3-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1

> <INCHI_KEY>
XFOSBZOUUACCCN-UHFFFAOYSA-M

> <FORMULA>
C11H21ClN2O

> <MOLECULAR_WEIGHT>
232.75

> <EXACT_MASS>
232.134241

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
15.717554680570704

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dimethylbis(prop-2-en-1-yl)azanium hydrochloride prop-2-enecarboximidate

> <ALOGPS_LOGP>
0.73

> <JCHEM_LOGP>
-2.509667504138412

> <ALOGPS_LOGS>
-3.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
54.22710000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.02e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethylbis(prop-2-en-1-yl)azanium hydrochloride prop-2-enecarboximidate

> <JCHEM_VEBER_RULE>
1

> <NAME>
Polyquaternium-7

$$$$