Mrv1572004221604592D          

 21 20  0  0  0  0            999 V2000
   -4.2868   -0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.5363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.9487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.9387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5759    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 11 10  1  0  0  0  0
 13  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  4  0  0  0
 16 15  2  0  0  0  0
 17  4  1  0  0  0  0
 17  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19  3  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM018601

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C15H24N2O3.ClH/c1-4-17(5-2)11-10-16-15(18)12-20-14-8-6-13(19-3)7-9-14;/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);1H

> <INCHI_KEY>
AXBHPHPHZHAOAK-UHFFFAOYSA-N

> <FORMULA>
C15H25ClN2O3

> <MOLECULAR_WEIGHT>
316.83

> <EXACT_MASS>
316.1553704

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
31.836827141770947

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)ethanimidic acid hydrochloride

> <ALOGPS_LOGP>
2.26

> <JCHEM_LOGP>
-0.6274225366281839

> <ALOGPS_LOGS>
-2.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9439539482747534

> <JCHEM_PKA_STRONGEST_BASIC>
9.543801785073454

> <JCHEM_POLAR_SURFACE_AREA>
54.290000000000006

> <JCHEM_REFRACTIVITY>
79.8259

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.07e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mefexamide hydrochloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Mefexamide hydrochloride

> <CAS>
3413-64-7

> <SYNONYMS>
Mefexamide

$$$$