Mrv1652305221921272D
5 4 0 0 0 0 999 V2000
0.8250 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0
4 1 1 0 0 0 0
4 2 1 0 0 0 0
4 3 1 0 0 0 0
5 4 2 0 0 0 0
M CHG 1 1 -1
M END
> <DATABASE_ID>
MMDBc0030378
> <DATABASE_NAME>
MIME
> <SMILES>
OP(O)([O-])=[Se]
> <INCHI_IDENTIFIER>
InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)/p-1
> <INCHI_KEY>
JRPHGDYSKGJTKZ-UHFFFAOYSA-M
> <FORMULA>
H2O3PSe
> <MOLECULAR_WEIGHT>
159.95
> <EXACT_MASS>
160.89067727
> <JCHEM_ACCEPTOR_COUNT>
4
> <JCHEM_ATOM_COUNT>
7
> <JCHEM_AVERAGE_POLARIZABILITY>
6.871685145530006
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
2
> <JCHEM_FORMAL_CHARGE>
-1
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
hydrogen hydroxy(selanylidene)phosphonite
> <JCHEM_LOGP>
-1.1304999999999996
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3
> <JCHEM_PKA>
-3.1645280069565223
> <JCHEM_PKA_STRONGEST_ACIDIC>
-6.266789329064495
> <JCHEM_POLAR_SURFACE_AREA>
63.519999999999996
> <JCHEM_REFRACTIVITY>
25.202199999999998
> <JCHEM_ROTATABLE_BOND_COUNT>
0
> <JCHEM_RULE_OF_FIVE>
1
> <JCHEM_TRADITIONAL_IUPAC>
hydrogen hydroxy(selanylidene)phosphonite
> <JCHEM_VEBER_RULE>
0
$$$$