Mrv0541 02241204582D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0749

> <DATABASE_NAME>
t3db

> <SMILES>
C[Zn]C

> <INCHI_IDENTIFIER>
InChI=1S/2CH3.Zn/h2*1H3;

> <INCHI_KEY>
AXAZMDOAUQTMOW-UHFFFAOYSA-N

> <FORMULA>
C2H6Zn

> <MOLECULAR_WEIGHT>
95.478

> <EXACT_MASS>
93.97609677

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
6.877273393001028

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dimethylzinc

> <ALOGPS_LOGP>
0.28

> <JCHEM_LOGP>
0.6416000000000002

> <ALOGPS_LOGS>
-0.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
11.0982

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.42e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethylzinc

> <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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