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1,2,3,4-Tetrahydroisoquinolin-6-ol-1-carboxylic acid
PHCD compound ID : 3642
Chemical Names :
1,2,3,4-Tetrahydroisoquinolin-6-ol-1-carboxylic acid
Molecular Formula : C10H11N1O3
Molecular Weight : 193.073893
More Details :
Names & Synonyms: 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid , 6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Smiles: OC(=O)[C@@H]1NCCc2c1ccc(c2)O
InChi : InChI=1S/C10H11NO3/c12-7-1-2-8-6(5-7)3-4-11-9(8)10(13)14/h1-2,5,9,11-12H,3-4H2,(H,13,14)/t9-/m1/s1
InChi Key : InChIKey=WQTOOVAQGWLHKC-SECBINFHSA-N
PubChem ID : 590430
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.281513
Hydrogen bond donor count : 3 Electric dipole moment : 2.802
XLogP : -0.75 VDW volume : 172.724993
Molecular weight : 193.073893 HOMO-LUMO gap : 9.160000
Herb list :
Refrences & Litretures:
  
509.      Journal:'Asian Pac J Trop Biomed'      Year:'2015'      Volume:'5'      Page:'1033'      DOI:'10.1016/j.apjtb.2015.09.010'      Title:'Gas chromatography mass spectrometry analysis and in vitro antibacterial activity of essential oil from Trigonella foenum-graecum'
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