
  Mrv1533006031512282D          

  2  1  0  0  0  0            999 V2000
   13.2734   -7.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0984   -7.4225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
M  RAD  2   1   1   2   1
M  END
> <DATABASE_ID>
M2MDB003394

> <DATABASE_NAME>
M2MDB

> <INCHI_IDENTIFIER>
InChI=1S/CO/c1-2

> <INCHI_KEY>
UGFAIRIUMAVXCW-UHFFFAOYSA-N

> <FORMULA>
CO

> <MOLECULAR_WEIGHT>
28.01

> <EXACT_MASS>
27.99491462

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
1.944703610827415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
26.2298

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_VEBER_RULE>
1

$$$$
