Mrv1572004191601212D          

  6  3  0  0  0  0            999 V2000
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 Tl  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Tl  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
M  CHG  4   3  -1   4  -1   5   1   6   1
M  END
> <DATABASE_ID>
CHEM004434

> <DATABASE_NAME>
chemdb

> <SMILES>
[Tl+].[Tl+].[O-]C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3.2Tl/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2

> <INCHI_KEY>
DASUJKKKKGHFBF-UHFFFAOYSA-L

> <FORMULA>
CO3Tl2

> <MOLECULAR_WEIGHT>
468.77

> <EXACT_MASS>
469.9336

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5154552300033055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(λ¹-thallanylium) carbonate

> <ALOGPS_LOGP>
-0.70

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
-0.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618222

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.65e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(λ¹-thallanylium) carbonate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Thallium(I) carbonate

> <CAS>
6533-73-9

> <SYNONYMS>
Carbonic acid, thallium(1+) salt (1:2); Thallous carbonate

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