Mrv0541 04251301032D          

  9  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.4841    1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9538    0.4608    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4235    1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6682   -0.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9538   -1.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -0.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <DATABASE_ID>
T3D3874

> <DATABASE_NAME>
t3db

> <SMILES>
[Cl-].C[N+]1(C)CCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1

> <INCHI_KEY>
VHOVSQVSAAQANU-UHFFFAOYSA-M

> <FORMULA>
C7H16ClN

> <MOLECULAR_WEIGHT>
149.662

> <EXACT_MASS>
149.097127224

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
14.537315917106547

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1-dimethylpiperidin-1-ium chloride

> <ALOGPS_LOGP>
-2.41

> <JCHEM_LOGP>
-3.1218010191384122

> <ALOGPS_LOGS>
-4.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
48.0437

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.68e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1-dimethylpiperidin-1-ium chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D3874

> <NAME>
Mepiquat chloride

> <CAS>
24307-26-4

> <SYNONYMS>
1,1-Dimethylpiperidinium chloride; Mepiquatchloride; N,N-Dimethylpiperdinium chloride

> <TYPES>
Organic Compound; Pesticide; Synthetic Compound; Plant Growth Regulator

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