About: http://linked.opendata.cz/resource/drugbank/property/271B5042-363D-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
http://linked.open...ank/propertyValue
  • 2
  • 1
  • 4
  • InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
  • -1.3
  • -2
  • -2.7
  • -3.7
  • [H][C@]1(O)C=C(O[C@@]([H])(OCC(C)C)[C@]1([H])NC(C)=O)C(O)=O
  • 122.048012824
  • 162.7
  • 2.11e-01 g/l
  • 226.131742452
  • 5.87
  • 7.42e-04 g/l
  • InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
  • InChIKey=PEFGUPQPFCDBPY-LMVFSUKVSA-N
  • CC(C)[C@@H](NC(=O)CN1C(=O)C(N)=CN=C1C1=CC=CC=C1)[C@@H](O)C1=NN=C(O1)C(C)(C)C
is http://linked.open...gy/drugbank/InChI 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...urface-Area--PSA- of
is http://linked.open...bank/Ghose-Filter of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...bank/Rule-of-Five of
is http://linked.open...strongest-acidic- of
is http://linked.open...-strongest-basic- of
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