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OpenMRA DB

Summary

Substance name (3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CAS Number 1025404-10-7
Molecular weight (g/mol) 414.6750000000002
SMILES CCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CCC(=O)O
Chemical Function Anti-static agent
GHS classification -

Substance information

Substance Name (3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CAS Number 1025404-10-7
SMILES CCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CCC(=O)O
Chemical Function Anti-static agent
GHS classification -
GHS descriptions -

Human Toxicity

Mutagenicity (Ames test) -
Developmental Toxicity -
Carcinogenicity -
Acute Toxicity (LD50) -
Skin Sensitization -
Skin Irritation -
Eye Irritation -
Estrogen Receptor-mediated effect -
Androgen Receptor-mediated effect -
Thyroid Receptor Alpha effect -
Thyroid Receptor Beta effect -
GlucocorticoidReceptor -
Thyroperoxidase Inhibitory Activity -
Endocrine Disruptor activity screening -
Cramer classification -
Hepatotoxicity -

Eco Toxicity

Fish Acute (LC50) Toxicity -
Fathead Minnow LC50 96h (ERA) -
Daphnia Magna LC50 48h (EPA) -
Algae Acute (EC50) Toxicity -
Fish Chronic (NOEC) Toxicity -
Daphnia Magna Chronic (NOEC) Toxicity -
Algae Chronic (NOEC) Toxicity -
Bee acute toxicity -
Earthworm Toxicity -
Zebrafish embryo AC50 -

Physical-Chemical Property

LogP model -
Water solubility -
Vapour Pressure -
Melting Point -
Hydrolysis -
Henry's Law -
KOA model -
KOC model -

Computed Properties

BertzCT 335.9474732050231
NumHAcceptors 3.0
NumHDonors 2.0
FractionCSP3 0.9166666666666666
NumHeteroatoms 5.0
NumRotatableBonds 19.0
TPSA 69.64
MolLogP 6.016600000000005
MolWt 414.6750000000002
ExactMolWt 414.38214346
HeavyAtomCount 29.0
HeavyAtomMolWt 364.2750000000001
NumAromaticRings 0.0