Mrv1652306031609262D          

 18 19  0  0  0  0            999 V2000
    4.0074    2.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2623    3.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874    2.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5354    1.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1824    2.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5949    3.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6749    2.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183    1.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5297    3.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275    3.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1320    2.7608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6975    1.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5949    4.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0105    3.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9327    1.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7013    2.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428    3.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7451    3.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  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
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 18 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045554

> <DATABASE_NAME>
chemdb

> <SMILES>
O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H8N2O7/c12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-4H2

> <INCHI_KEY>
PFYXSUNOLOJMDX-UHFFFAOYSA-N

> <FORMULA>
C9H8N2O7

> <MOLECULAR_WEIGHT>
256.17

> <EXACT_MASS>
256.033150606

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
21.045002848767357

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(2,5-dioxopyrrolidin-1-yl) carbonate

> <ALOGPS_LOGP>
-0.14

> <JCHEM_LOGP>
-1.010777857

> <ALOGPS_LOGS>
-1.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.930283666138596

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.32820550038992

> <JCHEM_PKA_STRONGEST_BASIC>
-5.992604305345953

> <JCHEM_POLAR_SURFACE_AREA>
110.29000000000002

> <JCHEM_REFRACTIVITY>
50.60580000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.01e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(2,5-dioxopyrrolidin-1-yl) carbonate

> <JCHEM_VEBER_RULE>
0

> <NAME>
di(succinimido) carbonate

> <CAS>
74124-79-1

$$$$