About: http://linked.opendata.cz/resource/drugbank/property/271B525A-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
  • 1
  • 3.93
  • 5.72
  • -1.1
  • -2.7
  • 1.48e-02 g/l
  • 14.33
  • 183.08147716
  • 5.24
  • 122.56
  • 78.94
  • ethyl[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine
  • 184.138
  • CC(C)NCC(O)COC1=CC=CC=C1CC=C
  • InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K
  • InChI=1S/C24H38N4O4/c1-15(2)19(27-23(32)25-17-6-3-4-7-17)22(31)28-13-10-18(26-21(30)16-8-9-16)20(28)24(14-29)11-5-12-24/h14-20H,3-13H2,1-2H3,(H,26,30)(H2,25,27,32)/t18-,19-,20-/m0/s1
  • InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11-,14-/m1/s1
is http://linked.open...ugbank/IUPAC-Name of
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...bank/Refractivity 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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