AttributesValues
http://linked.open...nk/propertySource
  • ALOGPS
  • ChemAxon
  • SANGSTER (1993)
http://linked.open...ank/propertyValue
  • 2
  • 1
  • 4
  • 1.17
  • -0.77
  • 1.05e-01 g/l
  • 114.1026
  • 4.80
  • (2S)-2-amino-3-(4-{[(propan-2-yl)amino]methyl}phenyl)propanoic acid
  • 112.17
  • InChIKey=PELPUMGXMYVGSQ-UHFFFAOYSA-N
  • InChIKey=ZXRVKCBLGJOCEE-UHFFFAOYSA-N
  • [Cl-].[Cl-].[Ca++]
  • InChI=1S/C17H21ClN6/c1-4-5-8-19-15-9-12(3)20-17-22-16(23-24(15)17)21-14-10-13(18)7-6-11(14)2/h6-7,9-10,19H,4-5,8H2,1-3H3,(H,21,23)
  • InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/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...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...-Bond-Donor-Count of
is http://linked.open...drugbank/InChIKey of
is http://linked.open...bank/Refractivity of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...bank/Rule-of-Five of
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