Mrv0541 08261423182D          

  7  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
    2.2393    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -1.6500    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    4.2429   -1.6500    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
T3D1492

> <DATABASE_NAME>
t3db

> <SMILES>
C.C.C.[Al].[Al].[Al].[Al]

> <INCHI_IDENTIFIER>
InChI=1S/3CH4.4Al/h3*1H4;;;;

> <INCHI_KEY>
MUPGOTKUIDZEEI-UHFFFAOYSA-N

> <FORMULA>
C3H12Al4

> <MOLECULAR_WEIGHT>
156.0535

> <EXACT_MASS>
156.020054148

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
2.5910020514760492

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tris(methane) tetraalumane

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
1.0809229439999999

> <ALOGPS_LOGS>
0.43

> <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>
1.44e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tris(methane) tetraalumane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1492

> <NAME>
Aluminium carbide

> <CAS>
1299-86-1

> <SYNONYMS>
Aluminum carbide; Aluminum carbide (Al4C3); ALUMINUM CARBIDE, Al4C3; Tetraaluminium tricarbide

> <TYPES>
Inorganic Compound; Aluminum Compound; Industrial/Workplace Toxin; Synthetic Compound

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