Structure #1
Mrv0541 02241207192D
4 3 0 0 0 0 999 V2000
-0.4125 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
2 4 2 0 0 0 0
3 4 2 0 0 0 0
M END
> <DATABASE_ID>
MMDBc0030156
> <DATABASE_NAME>
MIME
> <SMILES>
OP(=O)=O
> <INCHI_IDENTIFIER>
InChI=1S/HO3P/c1-4(2)3/h(H,1,2,3)
> <INCHI_KEY>
UEZVMMHDMIWARA-UHFFFAOYSA-N
> <FORMULA>
HO3P
> <MOLECULAR_WEIGHT>
79.9799
> <EXACT_MASS>
79.96633041
> <JCHEM_ACCEPTOR_COUNT>
3
> <JCHEM_AVERAGE_POLARIZABILITY>
4.289112339529514
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
1
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
oxophosphinic acid
> <JCHEM_LOGP>
-0.9081999999999999
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.91820936621187
> <JCHEM_POLAR_SURFACE_AREA>
54.37
> <JCHEM_REFRACTIVITY>
12.2864
> <JCHEM_ROTATABLE_BOND_COUNT>
0
> <JCHEM_RULE_OF_FIVE>
1
> <JCHEM_TRADITIONAL_IUPAC>
oxophosphinic acid
> <JCHEM_VEBER_RULE>
0
$$$$