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ScientificNameLabel
4-hydroxy-1H-indole-3-carboxal-dehyde
PHCD compound ID : 4150
Chemical Names :
4-hydroxy-1H-indole-3-carboxal-dehyde
Molecular Formula : C9H7N1O2
Molecular Weight : 161.047678
More Details :
Names & Synonyms: 4-hydroxy-1H-indole-3-carbaldehyde , 4-hydroxy-1H-indole-3-carboxaldehyde , 4-oxidanyl-1H-indole-3-carbaldehyde
Smiles: O=Cc1c[nH]c2c1c(O)ccc2
InChi : InChI=1S/C9H7NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-5,10,12H
InChi Key : InChIKey=QLBZIZLLMNWTHG-UHFFFAOYSA-N
PubChem ID : 9815282
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.521135
Hydrogen bond donor count : 2 Electric dipole moment : 6.308
XLogP : 1.174 VDW volume : 133.102323
Molecular weight : 161.047678 HOMO-LUMO gap : 7.757000
Herb list :
Refrences & Litretures:
  
579.      Journal:'Int J Diabetol Vasc Dis Res'      Year:'2015'      Volume:'3'      Page:'99'      DOI:'10.19070/2328-353X-1500020'      Title:'Pharmacological Properties of Capparis spinosa Linn'
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