Mrv1572004191602102D          

 12 11  0  0  0  0            999 V2000
    1.4289   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.8414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.8414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 11  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM007959

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(Cl)C(=O)N(CC=C)CC=C

> <INCHI_IDENTIFIER>
InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2

> <INCHI_KEY>
YRMLFORXOOIJDR-UHFFFAOYSA-N

> <FORMULA>
C8H11Cl2NO

> <MOLECULAR_WEIGHT>
208.08

> <EXACT_MASS>
207.0217694

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
19.769462427125454

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,2-dichloro-N,N-bis(prop-2-en-1-yl)acetamide

> <ALOGPS_LOGP>
2.05

> <JCHEM_LOGP>
2.161091777666666

> <ALOGPS_LOGS>
-2.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.67116244515378

> <JCHEM_PKA_STRONGEST_BASIC>
-9.373718299234746

> <JCHEM_POLAR_SURFACE_AREA>
20.310000000000002

> <JCHEM_REFRACTIVITY>
52.5605

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.37e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,2-dichloro-N,N-bis(prop-2-en-1-yl)acetamide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Dichlormid

> <CAS>
37764-25-3

> <SYNONYMS>
2,2-dichloro-N,N-bis(prop-2-en-1-yl)acetamide; Acetamide, 2,2-dichloro-N,N-di-2-propen-1-yl-

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