Mrv0541 02241205032D          

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M  END
> <DATABASE_ID>
T3D1087

> <DATABASE_NAME>
t3db

> <SMILES>
CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC

> <INCHI_IDENTIFIER>
InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3

> <INCHI_KEY>
HKPHPIREJKHECO-UHFFFAOYSA-N

> <FORMULA>
C17H26ClNO2

> <MOLECULAR_WEIGHT>
311.847

> <EXACT_MASS>
311.165206788

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
34.87569881721923

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide

> <ALOGPS_LOGP>
4.20

> <JCHEM_LOGP>
4.915370619333333

> <ALOGPS_LOGS>
-4.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.603291553577332

> <JCHEM_PKA_STRONGEST_BASIC>
-4.228925228801091

> <JCHEM_POLAR_SURFACE_AREA>
29.54

> <JCHEM_REFRACTIVITY>
87.80109999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.18e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
machette

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1087

> <NAME>
Butachlor

> <CAS>
23184-66-9

> <SYNONYMS>
2',6'-Diethyl-N-butoxymethyl-2-chloroacetanilide; 2',6'-Diethyl-N-butoxymethyl-alpha-chloroacetanilide; 2,4-D, Alkanolamine salts; 2,4-Dow Weed Killer Formula 40; 2-Chloro-2', 6'-diethyl-N-(butoxymethyl)acetanilide; 2-Chloro-2',6'-Diethyl-N-(butoxymethyl)acetanilide; 2-Chloro-2,6-diethyl-N-(butoxymethyl)acetanilide; Amichlor; Bilchlor; Butaclor; Butanex; Caswell No. 119B; Cross country weed killer spray; Del SK heavy duty weed killer; Delchlor; Delchlor 5G; Dow Formula 40; Gormel's weed kil; Green light broadleaf weed killer; Hiltachlor; Home use weed killer; Lambast; Mach-mach; Machete; Machete (herbicide); Machette; N-(Butoxymethyl)-2-chloro-2',6'-diethylacetanilide; N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide; N-Butoxymethyl-alpha-chloro-2',6'-diethylacetanilide; Pillarsete; Rasayanchlor; Weedout

> <TYPES>
Organic Compound; Organochloride; Aromatic Hydrocarbon; Pesticide; Amine; Ether; Amide; Chloroacetanilide; Synthetic Compound

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