Smiles ClC=1(C(=O)C(Cl)=CC(C=1)(O)CC(=O)N)
CAS number 88290-16-8
Polar Surface Area 80,39
calculated LogS -2,259
Molweight 236,054
calculated LogP -0,1424
H-Acceptors 4
H-Donors 2
Ro5 violations 0
Druglikeness 0,8993
DrugScore 0,6482909
Mutagenic low
Tumorigenic none
Reproductive Effective none
Irritant none
Fish Toxicity Low FHMT
Fish Toxicity2 1,7185
Rat Acute Toxicity 2,4618
Acute Oral Toxicity III
Caco-2 Permeability Caco2-
Caco-2 Permeability2 0,6973
P-glycoprotein Substrate Non-substrate
P-glycoprotein Inhibitor Non-inhibitor
P-glycoprotein Inhibitor2 Non-inhibitor
Human Ether-a-go-go-Related Gene Inhibition Weak inhibitor
Human Ether-a-go-go-Related Gene Inhibition2 Non-inhibitor
CYP450 2C9 Substrate Non-substrate
Tetrahymena Pyriformis Toxicity High TPT
Tetrahymena Pyriformis Toxicity2 0,0732
AMES Toxicity Non AMES toxic
CYP450 3A4 Substrate Non-substrate
CYP450 3A4 Inhibitor Non-inhibitor
CYP450 2C19 Inhibitor Non-inhibitor
CYP450 2C9 Inhibitor Non-inhibitor
CYP450 2D6 Inhibitor Non-inhibitor
CYP450 1A2 Inhibitor Non-inhibitor
CYP450 2D6 Substrate Non-substrate
Biodegradation Not ready biodegradable
Carcinogens Non-carcinogens
Blood-Brain Barrier BBB+
CYP Inhibitory Promiscuity Low CYP Inhibitory Promiscuity
Honey Bee Toxicity Low HBT
Renal Organic Cation Transporter Non-inhibitor
Carcinogenicity (Three-class) Non-required
Human Intestinal Absorption HIA+
Structure 88290-16-8