Mrv1572004251605452D          

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M  RAD  3   1   2  27   2  53   2
M  END
> <DATABASE_ID>
CHEM009116

> <DATABASE_NAME>
chemdb

> <SMILES>
[Al].[CH2]CCCCCCCCCCCCCCCCCCCCCCCCC.[CH2]CCCCCCCCCCCCCCCCCCCCCCCCC.[CH2]CCCCCCCCCCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/3C26H53.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-26H2,2H3;

> <INCHI_KEY>
GMKBFBZIBLGMTG-UHFFFAOYSA-N

> <FORMULA>
C78H159Al

> <MOLECULAR_WEIGHT>
1124.112

> <EXACT_MASS>
1123.2257186

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
238

> <JCHEM_AVERAGE_POLARIZABILITY>
54.48826757259167

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
10.66

> <JCHEM_LOGP>
10.828100000000001

> <ALOGPS_LOGS>
-7.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
120.33599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
69

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.13e-06 g/l

> <JCHEM_VEBER_RULE>
0

> <NAME>
Aluminum, trihexacosyl-

> <CAS>
10449-71-5

$$$$