About: http://linked.opendata.cz/resource/drugbank/property/271B5717-363D-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
  • YALKOWSKY,SH & HE,Y (2003)
http://linked.open...ank/propertyValue
  • 2
  • 0
  • 1
  • 3.69
  • -5.1
  • 25.36
  • 4.57
  • 400 mg/L
  • 43.6
  • 1134.36976401
  • 3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide
  • C23H26ClN5O2S
  • C7H8NO5P
  • InChIKey=OZWKMVRBQXNZKK-UHFFFAOYSA-N
  • [H][C@](CC1=CNC2=C1C=C(C)C=C2)(NS(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(O)=O
  • InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/p+1/t15-,16+,17+/m1/s1
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...ogy/drugbank/logS 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...k/Bioavailability of
is http://linked.open...ank/Boiling-Point of
is http://linked.open...nk/MDDR-Like-Rule of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...strongest-acidic- of
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