Mrv1652305231919172D
2 1 0 0 0 0 999 V2000
1.6500 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
2.4750 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
M END
> <DATABASE_ID>
MMDBc0031987
> <DATABASE_NAME>
MIME
> <SMILES>
II
> <INCHI_IDENTIFIER>
InChI=1S/I2/c1-2
> <INCHI_KEY>
PNDPGZBMCMUPRI-UHFFFAOYSA-N
> <FORMULA>
I2
> <MOLECULAR_WEIGHT>
253.8089
> <EXACT_MASS>
253.80893684
> <JCHEM_ACCEPTOR_COUNT>
0
> <JCHEM_ATOM_COUNT>
2
> <JCHEM_AVERAGE_POLARIZABILITY>
10.176346482806096
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
0
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
diiodine
> <JCHEM_LOGP>
1.358210709333333
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_POLAR_SURFACE_AREA>
0.0
> <JCHEM_REFRACTIVITY>
26.6816
> <JCHEM_ROTATABLE_BOND_COUNT>
0
> <JCHEM_RULE_OF_FIVE>
1
> <JCHEM_TRADITIONAL_IUPAC>
iodine
> <JCHEM_VEBER_RULE>
1
$$$$