Sertraline

Sertraline
SMILES
CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
CAS number
79617-96-2
Formula
C17 H17 CL2 N1
Molecular weight
306.24g/mol
Melting point
not specified  tM/°C
Entropy of fusion
not specified  ΔfusS/J K-1 mol-1

Vapor pressure

t/°C PS/Pa PL/Pa log (PL/Pa) method and notes reference
25 1.56E-4 2.24E-3 -2.65 EPI Suite estimation

Water solubility

t/°C SWS/mol m-3 SWL/mol m-3 log (SWL/mol m-3) method and notes reference
not specified

Henry's law constant

t/°C H/Pa m3 mol-1 KAW log (KAW) method and notes reference
25 2.08E-6 -5.68 EPI Suite estimation

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 1.95E+5 5.29 EPI Suite estimation

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 9.35E+10 11 EPI Suite estimation

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0.1 EPI Suite estimation

Half-life for degradation in water

t/°C half-life/day method and notes reference
25 60 EPI Suite estimation

Half-life for degradation in soil

t/°C half-life/day method and notes reference
25 120 EPI Suite estimation

Half-life for degradation in sediment

t/°C half-life/day method and notes reference
25 542 EPI Suite estimation