phylloquinone Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

450.71

ALogP

9.16

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(=C\CC1=C(C)C(=O)c2ccccc2C1=O)\C
  • InChIKey: MBWXNTAXLNYFJB-NKFFZRIASA-N
    InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1550   ChEMBL
phytonadione

Phytomenadione   Wikipedia

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