AttributesValues
http://linked.open...nk/propertySource
  • ALOGPS
  • ChemAxon
  • Kohlstaedt, E. and Klingler, K.H.; U.S. Patent 3,029,239; April 10, 1962; assigned to Chemiewerke Homburg.
http://linked.open...ank/propertyValue
  • 0
  • 3
  • 5
  • 7
  • 1.02
  • -0.85
  • -1.1
  • 130.11061308
  • 133.1307
  • 227-229
  • 310.229665582
  • 418.00018983
  • 64.71
  • 99.25
  • CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1
  • InChIKey=IWYDHOAUDWTVEP-ZETCQYMHSA-N
  • InChIKey=ZUJMMGHIYSAEOU-SWLSCSKDSA-N
  • InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1
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...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...atable-Bond-Count of
is http://linked.open...ank/Melting-Point of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...bank/Rule-of-Five of
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