About: http://linked.opendata.cz/resource/drugbank/property/271B5B06-363D-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
  • PERRIN,DD (1972)
http://linked.open...ank/propertyValue
  • 2
  • 0
  • 2.07
  • 2.09
  • 26.7
  • [H][C@]1(CSSC[C@]2([H])NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N3)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
  • -2.7
  • 1H-indene
  • 2.96e-01 g/l
  • 32.27
  • 434.058967763
  • 7.34 (at 20 °C)
  • 8.31e+01 g/l
  • C12H10O2
  • InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
  • InChIKey=HEBDCWKDNSCZMW-XQRVVYSFSA-N
  • C[N+](C)(C)[C@@H](CCc1ncc(C[C@H](N)C(O)=O)n1)C(N)=O
is http://linked.open...ugbank/IUPAC-Name of
is http://linked.open...gy/drugbank/InChI of
is http://linked.open...Molecular-Formula 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...logy/drugbank/pKa of
is http://linked.open...nd-Acceptor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...nk/Polarizability of
is http://linked.open...siological-Charge of
is http://linked.open...-strongest-basic- of
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