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Smile:
O=C(O)C1(=CC=C(C(=O)O)C=C1)

CAS Number:	100-21-0
SMILES format:	O=C(O)C1(=CC=C(C(=O)O)C=C1)
Polar Surface Area:	74.60
cLogS:	-1.642
MW:	166.132
cLogP:	0.6298
H-Acceptors:	4
H-Donors:	2
Ro5 violations:	0
DrugScore:	0.198097
Druglikeness:	-1.8442
Irritant:	high
Mutagenic:	high
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Fish Toxicity2:	1.7801
Rat Acute Toxicity:	1.3829
Acute Oral Toxicity:	IV
Caco-2 Permeability:	Caco2+
Caco-2 Permeability2:	0.7664
P-glycoprotein Inhibitor2:	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 :	Low TPT
Tetrahymena Pyriformis Toxicity2:	-0.8976
AMES Toxicity:	Non AMES toxic
CYP450 3A4 Inhibitor:	Non-inhibitor
CYP450 3A4 Substrate:	Non-substrate
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:	Ready biodegradable
Carcinogens:	Non-carcinogens
Blood-Brain Barrier:	BBB+
CYP Inhibitory Promiscuity:	Low CYP Inhibitory Promiscuity
Honey Bee Toxicity:	High HBT
Renal Organic Cation Transporter:	Non-inhibitor
Carcinogenicity (Three-class):	Non-required
Human Intestinal Absorption:	HIA+

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