Mrv0541 09211104272D          

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M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0061

> <SMILES>
COC1=CC=C(C=C1)C(C1=CC=C(OC)C=C1)C(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3

> <INCHI_KEY>
InChIKey=IAKOZHOLGAGEJT-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
33.7313744393627

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
344.013762845

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C16H15Cl3O2

> <JCHEM_IUPAC>
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene

> <JCHEM_LOGP>
4.9340705153333335

> <JCHEM_MASS>
345.648

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
88.6325

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_TRADITIONAL_IUPAC>
methoxychlor

$$$$