About: http://linked.opendata.cz/resource/drugbank/property/271B48EA-363D-11E5-9242-09173F13E4C5     Goto   Sponge   NotDistinct   Permalink

An Entity of Type : owl:Thing, within Data Space : linked.opendata.cz associated with source document(s)

AttributesValues
http://linked.open...nk/propertySource
  • ALOGPS
  • ChemAxon
  • YALKOWSKY,SH & DANNENFELSER,RM (1992)
http://linked.open...ank/propertyValue
  • 0
  • 1
  • isotretinoin
  • 0.71
  • 1.2
  • 1.54
  • -1
  • -4.3
  • -4.8
  • 1E+004 mg/L
  • 2.49e+00 g/l
  • 285.2085
  • 403.033032739
  • OC1=CC=C(C=C1\N=N\C1=C(O)C2=CC=C(NC3=NC(NC4=C(C5=C(C=C4)C(O)=C(\N=N\C4=CC(=CC=C4O)S(O)(=O)=O)C(=C5)S(O)(=O)=O)S(O)(=O)=O)=NC=N3)C(=C2C=C1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
  • 633.7312
  • CCCC[C@@H](CN(O)C=O)C(O)=O
  • InChIKey=UOZODPSAJZTQNH-LSWIJEOBSA-N
  • NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
  • InChI=1S/C17H13BrN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)
is http://linked.open...gy/drugbank/InChI of
is http://linked.open.../Molecular-Weight of
is http://linked.open...noisotopic-Weight of
is http://linked.open...y/drugbank/SMILES of
is http://linked.open.../Water-Solubility of
is http://linked.open...ogy/drugbank/logP of
is http://linked.open...ogy/drugbank/logS of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...k/Bioavailability of
is http://linked.open...siological-Charge of
is http://linked.open...tional-IUPAC-Name of
is http://linked.open...strongest-acidic- of
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