About: http://linked.opendata.cz/resource/drugbank/property/271B46D1-363D-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
  • 0
  • 1
  • 0.22
  • -1
  • 3-[(2R)-2-(dihydroxyboranyl)-2-acetamidoethyl]-2-hydroxybenzoic acid
  • InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
  • -1.1
  • -2.9
  • -3.6
  • -4.8
  • 1.90e+00 g/l
  • 24.09
  • 4.49
  • InChIKey=UVSMMLABJBJNGH-SRMDEQNCSA-N
  • ON1C2=CC=CN=C2C(=C1C1=CC=NC=C1)C1=CC=C(F)C=C1
  • InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
  • InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)
is http://linked.open...ugbank/IUPAC-Name of
is http://linked.open...gy/drugbank/InChI 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...-Bond-Donor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...nk/Polarizability of
is http://linked.open...bank/Ghose-Filter of
is http://linked.open...nk/MDDR-Like-Rule of
is http://linked.open...siological-Charge 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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