Example  DermWin Data Entry, Structure Window, and Results

The DermWin Program has three separate, place-able Windows: (1) a data entry window, (2) a detail results window, (3) and a structure depiction window. An example data entry screen and structure window are shown here. The example results output is shown below.

DermWin Estimation Results for Michler's Ketone

This estimation for Michler's ketone produces the following results:

               Kp (est): 0.0246 cm/hr 

SMILES : O=C(c(ccc(N(C)C)c1)c1)c(ccc(N(C)C)c2)c2
CHEM   : Methanone, bis 4-(dimethylamino)phenyl-
MOL FOR: C17 H20 N2 O1
MOL WT : 268.36
------------------------- Dermwin v1.41 --------------------
Log Kow  (estimated)  :  3.50
Log Kow (experimental):  3.87   (used in Kp calculations)
    Cas No: 000090-94-8
    Name  : Methanone, bis 4-(dimethylamino)phenyl-
    Refer : Hansch et al; 1995 

GENERAL Equation:  log Kp = -2.72 + 0.71 log Kow - 0.0061 MW
    Kp (predicted): 2.46e-002  cm/hr 

Dermally Absorbed Dose per Event:
   Water Conc (mg/cm3): 0.0092  (estimated by program)
   Event Duration (hr): 0.25
   DA(event): 5.7e-005 mg/cm2-event (using Fick's first law)
   DA(event): 0.00061 mg/cm2-event (using eqn 5.20 & 5.21)
                   (tau = 3.8 hr,  t* = 29 hr)