Mrv1652306031609202D          

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M  END
> <DATABASE_ID>
CHEM011821

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)(C)C1=CC(CCC(O)=NN=C(O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C34H52N2O4/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12/h17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38)

> <INCHI_KEY>
HCILJBJJZALOAL-UHFFFAOYSA-N

> <FORMULA>
C34H52N2O4

> <MOLECULAR_WEIGHT>
552.8

> <EXACT_MASS>
552.392708162

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
67.23996984866193

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-hydroxypropylidene]propanehydrazonic acid

> <ALOGPS_LOGP>
6.88

> <JCHEM_LOGP>
9.752981966

> <ALOGPS_LOGS>
-6.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.968807115465722

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.791632001994891

> <JCHEM_PKA_STRONGEST_BASIC>
-3.684689281635889

> <JCHEM_POLAR_SURFACE_AREA>
105.64000000000001

> <JCHEM_REFRACTIVITY>
165.64639999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.04e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-hydroxypropylidene]propanehydrazonic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]hydrazide

> <CAS>
32687-78-8

> <SYNONYMS>
2',3-bis[[3-[3,5-di-tert-butyl-4-hydroxyphenyl]propionyl]]propionohydrazide

$$$$