Mrv0541 02241205202D          

  7  6  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1476

> <DATABASE_NAME>
t3db

> <SMILES>
O=CO[Zn]OC=O

> <INCHI_IDENTIFIER>
InChI=1S/2CH2O2.Zn/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2

> <INCHI_KEY>
XOBMCBQSUCOAOC-UHFFFAOYSA-L

> <FORMULA>
C2H2O4Zn

> <MOLECULAR_WEIGHT>
155.444

> <EXACT_MASS>
153.92445513

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
8.180055727380449

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(formyloxy)zincio formate

> <ALOGPS_LOGP>
-0.10

> <JCHEM_LOGP>
-1.0661999999999998

> <ALOGPS_LOGS>
0.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.233355790121648

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
14.451200000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.92e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zinc formate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1476

> <NAME>
Zinc formate

> <CAS>
557-41-5

> <SYNONYMS>
Caswell No. 915; Formic acid, zinc salt; Zinc diformate; Zinc formate dihydrate; Zinc formic acid

> <TYPES>
Organic Compound; Zinc Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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