AttributesValues
http://linked.open...nk/propertySource
  • ALOGPS
  • ChemAxon
http://linked.open...ank/propertyValue
  • 2
  • 0
  • 1
  • 4.13
  • 86.1
  • (2S,3S,5R)-3-methyl-5-sulfopyrrolidine-2-carboxylic acid
  • -0.0069
  • -1.6
  • -6.2
  • 118.1
  • 31.52
  • 3-(3-bromophenyl)-8-[(2-hydroxyethyl)amino]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
  • InChIKey=CPZFGNOKCMJZFO-BTHQEHEQSA-N
  • InChIKey=SJZRECIVHVDYJC-UHFFFAOYSA-M
  • InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1
  • O[C@@H]1C[C@@H](O[C@H]1COP(O)(O)=O)N1C=C[C@H](O)NC1=O
  • (2S,3S,4R,5R,6S)-2-{[(2S,3S,4R,5R,6R)-6-[(6-cyclohexylhexyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
is http://linked.open...ugbank/IUPAC-Name of
is http://linked.open...gy/drugbank/InChI 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...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...nk/MDDR-Like-Rule of
is http://linked.open...k/Number-of-Rings of
is http://linked.open...tional-IUPAC-Name of
is http://linked.open...strongest-acidic- of
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