Mrv1652306031609252D          

 20 23  0  0  0  0            999 V2000
    5.7158    2.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993    4.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.0151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.5401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    1.0632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    4.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -1.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
 11  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 16  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 17 12  1  0  0  0  0
 18  7  1  0  0  0  0
 18 13  1  0  0  0  0
 19  8  1  0  0  0  0
 19 14  1  0  0  0  0
 20 10  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM014756

> <DATABASE_NAME>
chemdb

> <SMILES>
C(OC1=CC=CC(=C1)N(CC1CO1)CC1CO1)C1CO1

> <INCHI_IDENTIFIER>
InChI=1S/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2

> <INCHI_KEY>
VAGOJLCWTUPBKD-UHFFFAOYSA-N

> <FORMULA>
C15H19NO4

> <MOLECULAR_WEIGHT>
277.32

> <EXACT_MASS>
277.131408096

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
29.309409474735467

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(oxiran-2-yl)methoxy]-N,N-bis[(oxiran-2-yl)methyl]aniline

> <ALOGPS_LOGP>
1.10

> <JCHEM_LOGP>
1.447418264

> <ALOGPS_LOGS>
-1.87

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.37742657106455

> <JCHEM_POLAR_SURFACE_AREA>
50.06

> <JCHEM_REFRACTIVITY>
73.18390000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.75e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline

> <JCHEM_VEBER_RULE>
0

> <NAME>
3-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline

> <CAS>
71604-74-5

> <SYNONYMS>
m-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)aniline

$$$$