About: http://linked.opendata.cz/resource/drugbank/property/271B3F41-363D-11E5-9242-09173F13E4C5     Goto   Sponge   Distinct   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
  • 3
  • 4
  • 4.13
  • InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7+/m0/s1
  • -5.2
  • -6.8
  • 171.1937
  • 8.84e+01 g/l
  • 87.89
  • 89.54
  • InChIKey=USBSTVPJNQLYEM-UHFFFAOYSA-N
  • [H][C@@]1(C)C\C=C\C(=O)[C@@]([H])(O)[C@@]([H])(O)C\C=C\C2=CC(OC)=CC(O)=C2C(=O)O1
  • InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
is http://linked.open...gy/drugbank/InChI of
is http://linked.open.../Molecular-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...nd-Acceptor-Count of
is http://linked.open...-Bond-Donor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...urface-Area--PSA- of
is http://linked.open...nk/Polarizability of
is http://linked.open...atable-Bond-Count of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...bank/Rule-of-Five of
is http://linked.open...-strongest-basic- of
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