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M  END
> <DATABASE_ID>
CHEM014848

> <DATABASE_NAME>
chemdb

> <SMILES>
C(OC1=CC=C(C=C1)C(C(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1)C1CO1

> <INCHI_IDENTIFIER>
InChI=1S/C38H38O8/c1-9-29(39-17-33-21-43-33)10-2-25(1)37(26-3-11-30(12-4-26)40-18-34-22-44-34)38(27-5-13-31(14-6-27)41-19-35-23-45-35)28-7-15-32(16-8-28)42-20-36-24-46-36/h1-16,33-38H,17-24H2

> <INCHI_KEY>
HDDQXUDCEIMISH-UHFFFAOYSA-N

> <FORMULA>
C38H38O8

> <MOLECULAR_WEIGHT>
622.714

> <EXACT_MASS>
622.256668184

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
68.46782036952474

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({4-[1,2,2-tris({4-[(oxiran-2-yl)methoxy]phenyl})ethyl]phenoxy}methyl)oxirane

> <ALOGPS_LOGP>
5.20

> <JCHEM_LOGP>
6.085636056666666

> <ALOGPS_LOGS>
-6.87

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5067266679232048

> <JCHEM_POLAR_SURFACE_AREA>
87.04

> <JCHEM_REFRACTIVITY>
170.51499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.40e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(4-{1,2,2-tris[4-(oxiran-2-ylmethoxy)phenyl]ethyl}phenoxymethyl)oxirane

> <JCHEM_VEBER_RULE>
0

> <NAME>
Oxirane, 2,2',2'',2'''-[1,2-ethanediylidenetetrakis(4,1-phenyleneoxymethylene)]tetrakis-

> <CAS>
7328-97-4

> <SYNONYMS>
2,2',2'',2'''-[Ethane-1,1,2,2-tetrayltetrakis(4,1-phenyleneoxymethylene)]tetraoxirane; 2-({4-[1,2,2-tris({4-[(oxiran-2-yl)methoxy]phenyl})ethyl]phenoxy}methyl)oxirane

$$$$