Mrv1652305052017402D          

  4  3  0  0  0  0            999 V2000
    0.0409    0.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015   -0.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409   -0.2064    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015   -0.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D3799

> <DATABASE_NAME>
t3db

> <SMILES>
OB(O)O

> <INCHI_IDENTIFIER>
InChI=1S/BH3O3/c2-1(3)4/h2-4H

> <INCHI_KEY>
KGBXLFKZBHKPEV-UHFFFAOYSA-N

> <FORMULA>
BH3O3

> <MOLECULAR_WEIGHT>
61.833

> <EXACT_MASS>
62.017524428

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
5.145039272251462

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
boric acid

> <JCHEM_LOGP>
-0.5085999999999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.112949480128211

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.698677768419094

> <JCHEM_PKA_STRONGEST_BASIC>
-5.346305507279106

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
7.6937999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
boric acid

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3799

> <NAME>
Boric acid (H3BO3)

> <CAS>
10043-35-3

> <SYNONYMS>
(10B)Orthoboric acid; 1332-77-0 (Di-potassium salt); Acidum boricum; Ant flip; B(OH)3; Basilit b; Bluboro; Boracic acid; Borate; Borate (B4O7(2-)); Borate (H3bo3); Boric acid; Boric acid (BH3O3); Boric acid (H310BO3); Boric acid (H3bo3); Boric acid (JP15/NF); Boric acid, acs; Borofax; Boron hydroxide; Boron trihydroxide; Collyrium eye wash; Dr.'S 1 Flea Terminator DF; Dr.'S 1 Flea Terminator DFPBO; Dr.'S 1 Flea Terminator DT; Dr.'S 1 Flea Terminator DTPBO; Flea prufe; Heptaoxotetra-Borate(2-); Homberg'S salt; Hydrogen orthoborate; Kill-off; Kjel-sorb; Orthboric acid; Orthoboric acid; Orthoboric acid (B(OH)3); Orthoboric acid (H3BO3); Super flea eliminator; Tetraborate; Three elephant; Trihydroxidoboron; Trihydroxyborane; Trihydroxyborone; [B(OH)3]

> <TYPES>
Inorganic Compound; Insecticide; Food Toxin; Metabolite; Household Toxin; Synthetic Compound

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