Mrv1572004161621532D          

  3  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
CHEM000676

> <DATABASE_NAME>
chemdb

> <SMILES>
C.C.[Zn]

> <INCHI_IDENTIFIER>
InChI=1S/2CH4.Zn/h2*1H4;

> <INCHI_KEY>
JAVXGGWJXPMEKX-UHFFFAOYSA-N

> <FORMULA>
C2H8Zn

> <MOLECULAR_WEIGHT>
97.47

> <EXACT_MASS>
95.991742

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
2.5910020514760492

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(methane) zinc

> <ALOGPS_LOGP>
-1.39

> <JCHEM_LOGP>
1.0809229439999999

> <ALOGPS_LOGS>
0.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
6.3468

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.72e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(methane) zinc

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0749

> <NAME>
Dimethylzinc

> <CAS>
544-97-8

> <SYNONYMS>
(CH3)2Zn; Dimethyl zinc; Methylzinc; Qmbaxch; Zinc methyl; ZnMe2

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

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