About: http://linked.opendata.cz/resource/drugbank/property/271B50D3-363D-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
  • HANSCH,C ET AL. (1995)
  • SANGSTER (1993)
http://linked.open...ank/propertyValue
  • 2
  • 1
  • 6
  • 8
  • 2.75
  • InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10+/m0/s1
  • -1.3
  • 1.14e-02 g/l
  • 155.167399677
  • 155.61
  • 2.38
  • 3.90e+00 g/l
  • 40.06
  • 53.22
  • C19H19N5O3S2
  • [H][C@](COC(=O)CCC(O)=O)(NC(=O)C(Cl)Cl)[C@]([H])(O)C1=CC=C(C=C1)[N+]([O-])=O
  • InChIKey=DCXYFEDJOCDNAF-REOHCLBHSA-N
  • InChIKey=QKUCDAPGYBWICH-RRKCRQDMSA-N
  • InChIKey=SQVRNKJHWKZAKO-LLYCPFJPSA-N
  • N1C2=CC=CC=C2N=C1C1=CSC=N1
  • InChI=1S/C12H17N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,13H2
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...ogy/drugbank/logS 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...nk/Polarizability of
is http://linked.open...bank/Refractivity of
is http://linked.open...atable-Bond-Count of
is http://linked.open...k/Bioavailability of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...bank/Rule-of-Five of
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