-ISIS-  08251614012D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.7250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.0042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8625    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4500    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3250   -0.5042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3208    1.4917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4583   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3250    1.5000    0.0000 C   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
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 16  2  0  0  0  0
 15 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20  2  1  0  0  0  0
 21  7  1  0  0  0  0
  6 10  1  0  0  0  0
  4  7  2  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <ID> (STK403923)
STK403923

>  <Rotatable_Bonds> (STK403923)
1

>  <logP> (STK403923)
5.037

>  <PSA> (STK403923)
12.47

>  <H_Donors> (STK403923)
0

>  <H_Acceptors> (STK403923)
1

>  <Number_of_rings> (STK403923)
3

>  <NAME> (STK403923)
6-chloro-3-(4-chlorobenzyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine

>  <Mol_Weight> (STK403923)
322.23

>  <Mol_Formula> (STK403923)
C17H17Cl2NO

>  <Smiles> (STK403923)
Clc1ccc(cc1)CN1COc2c(C1)c(C)c(c(c2)C)Cl

$$$$