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Compound: 5546
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References: 992
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Ethanamine,2-phenoxy
ScientificNameLabel
Ethanamine,2-phenoxy
PHCD compound ID :
4418
Chemical Names :
Ethanamine,2-phenoxy
Molecular Formula :
C8H11N1O1
Molecular Weight :
137.084064
More Details :
Names & Synonyms:
2-phenoxyethanamine , 2-phenoxyethylamine
Smiles:
NCCOc1ccccc1
InChi :
InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChi Key :
InChIKey=IMLAIXAZMVDRGA-UHFFFAOYSA-N
PubChem ID :
15651
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
8.966060
Hydrogen bond donor count :
1
Electric dipole moment :
1.635
XLogP :
0.491
VDW volume :
135.545488
Molecular weight :
137.084064
HOMO-LUMO gap :
9.168000
Herb list :
Pomegranate - Punica granatum - گلنار، انار
Refrences & Litretures:
656. Journal:'Int. J. LifeSc. Bt & Pharm. Res' Year:'2012' Volume:'1' Page:'164' DOI:'' Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'
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