Mrv1652306031609212D          

 27 28  0  0  0  0            999 V2000
    1.3508   -1.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8900   -1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4937   -0.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9176   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6216    4.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8198    3.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8290    4.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2253    2.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345    4.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3508    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545   -0.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9453    0.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1342   -0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7287   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5029   -1.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2955   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1158   -1.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326    3.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5581    1.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7471    0.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1618    2.6523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0363    1.8515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3416   -0.4367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5213   -0.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9084   -0.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 16 15  1  0  0  0  0
 18  2  1  0  0  0  0
 18  3  1  0  0  0  0
 18 17  1  0  0  0  0
 19  4  1  0  0  0  0
 20  9  2  0  0  0  0
 20 10  1  0  0  0  0
 21 11  2  0  0  0  0
 21 12  1  0  0  0  0
 22 13  2  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  4  0  0  0
 24 23  2  0  0  0  0
 25  5  1  0  0  0  0
 25 15  1  0  0  0  0
 25 22  1  0  0  0  0
 26 16  1  0  0  0  0
 26 19  1  0  0  0  0
 27 17  1  0  0  0  0
 27 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011918

> <DATABASE_NAME>
chemdb

> <SMILES>
CCN(CCOC(C)OCC(C)C)C1=CC=C(C=C1)N=NC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H31N3O2/c1-5-25(15-16-26-19(4)27-17-18(2)3)22-13-11-21(12-14-22)24-23-20-9-7-6-8-10-20/h6-14,18-19H,5,15-17H2,1-4H3

> <INCHI_KEY>
BATVZJPOLFSGTD-UHFFFAOYSA-N

> <FORMULA>
C22H31N3O2

> <MOLECULAR_WEIGHT>
369.509

> <EXACT_MASS>
369.24162725

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
43.920761250513245

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-ethyl-N-{2-[1-(2-methylpropoxy)ethoxy]ethyl}-4-(2-phenyldiazen-1-yl)aniline

> <ALOGPS_LOGP>
5.84

> <JCHEM_LOGP>
6.333977288000001

> <ALOGPS_LOGS>
-5.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.4152777956483797

> <JCHEM_POLAR_SURFACE_AREA>
46.42

> <JCHEM_REFRACTIVITY>
115.03720000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.69e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
solvent yellow 124

> <JCHEM_VEBER_RULE>
0

> <NAME>
N-Ethyl-N-(2-(1-(2-methylpropoxy)ethoxy)ethyl)-4-(phenylazo)aniline

> <CAS>
34432-92-3

> <SYNONYMS>
N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]-4-(phenylazo)aniline

$$$$