Mrv1572004221606332D          

 13 13  0  0  0  0            999 V2000
   -0.1293   -1.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267   -0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556   -1.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5117   -0.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237    1.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6912    1.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6912    2.3509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1037    0.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062   -0.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2787    0.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1761   -1.7460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586    1.0409    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.8688    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 12  8  2  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
> <DATABASE_ID>
CHEM020249

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cl-].NC1=CN(N=[O+]1)N1CCOCC1

> <INCHI_IDENTIFIER>
InChI=1S/C6H11N4O2.ClH/c7-6-5-10(8-12-6)9-1-3-11-4-2-9;/h5H,1-4,7H2;1H/q+1;/p-1

> <INCHI_KEY>
ZRFWHHCXSSACAW-UHFFFAOYSA-M

> <FORMULA>
C6H11ClN4O2

> <MOLECULAR_WEIGHT>
206.63

> <EXACT_MASS>
206.0570533

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.6798127564536

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-amino-3-(morpholin-4-yl)-3H-1λ⁴,2,3-oxadiazol-1-ylium chloride

> <ALOGPS_LOGP>
-0.79

> <JCHEM_LOGP>
-0.5939000000000001

> <ALOGPS_LOGS>
-0.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.9445839321387846

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8232148843345537

> <JCHEM_POLAR_SURFACE_AREA>
69.45

> <JCHEM_REFRACTIVITY>
73.2145

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.10e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-amino-3-(morpholin-4-yl)-1λ⁴,2,3-oxadiazol-1-ylium chloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
3-Morpholinosydnonimine hydrochloride

> <CAS>
16142-27-1

$$$$