Mrv1652306031607162D          

 19 21  0  0  0  0            999 V2000
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
 12  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15  1  1  0  0  0  0
 15  2  1  0  0  0  0
 15  9  1  0  0  0  0
 16  3  1  0  0  0  0
 16  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 19  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM043785

> <DATABASE_NAME>
chemdb

> <SMILES>
OC1=NC(=NC(=N1)N1CCOCC1)N1CCOCC1

> <INCHI_IDENTIFIER>
InChI=1S/C11H17N5O3/c17-11-13-9(15-1-5-18-6-2-15)12-10(14-11)16-3-7-19-8-4-16/h1-8H2,(H,12,13,14,17)

> <INCHI_KEY>
ITWXPXDYRAKSPM-UHFFFAOYSA-N

> <FORMULA>
C11H17N5O3

> <MOLECULAR_WEIGHT>
267.289

> <EXACT_MASS>
267.133139427

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
26.797003775527003

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
bis(morpholin-4-yl)-1,3,5-triazin-2-ol

> <ALOGPS_LOGP>
0.43

> <JCHEM_LOGP>
1.3676115753333333

> <ALOGPS_LOGS>
-1.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.405475454799838

> <JCHEM_PKA_STRONGEST_BASIC>
2.6175580031238495

> <JCHEM_POLAR_SURFACE_AREA>
83.84000000000002

> <JCHEM_REFRACTIVITY>
71.3467

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.69e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(morpholin-4-yl)-1,3,5-triazin-2-ol

> <JCHEM_VEBER_RULE>
0

> <NAME>
2-Hydroxy-4,6-bismorpholino-1,3,5-triazin

> <CAS>
19899-85-5

$$$$