Molecule

(2S)-7-(iodomethyl)-2-phenyl-6-(trifluoromethyl)-4-oxa-1-azabicyclo[4.2.0]octan-5-one

AlkaPlorer ID: AK325063

Synonym: None

IUPAC Name: (2S)-7-(iodomethyl)-2-phenyl-6-(trifluoromethyl)-4-oxa-1-azabicyclo[4.2.0]octan-5-one

SMILES: O=C1OC[C@H](C2=CC=CC=C2)N2CC(CI)C12C(F)(F)F

InChI: InChI=1S/C14H13F3INO2/c15-14(16,17)13-10(6-18)7-19(13)11(8-21-12(13)20)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10?,11-,13?/m1/s1

InChIKey: IQIBTXOQUDOMHI-QWKFWESOSA-N

PubChem CID: 56605412

NPASS: NPC50613

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sigesbeckia orientalis	Sigesbeckia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Periploca sepium	Periploca	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Speranskia tuberculata	Speranskia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cyprinus carpio	Cyprinus	Cyprinidae	Cypriniformes	Actinopteri	Chordata	Metazoa	Eukaryota
Ixeris chinensis	Ixeris	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vespertilio sinensis	Vespertilio	Vespertilionidae	Chiroptera	Mammalia	Chordata	Metazoa	Eukaryota
Ericerus pela	Ericerus	Coccidae	Hemiptera	Insecta	Arthropoda	Metazoa	Eukaryota
Euphorbia pulcherrima	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Talipariti tiliaceum	Talipariti	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Toxicodendron vernicifluum	Toxicodendron	Anacardiaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 411.161

TPSA？: 29.54

MolLogP？: 2.9524000000000017

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi