entecavir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 135
Total Number of Articles : 165
PubChem 135398508
Molecular Formula

C12H15N5O3

SMILES

C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N

InChI

InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1

synonyms
  • Entecavir
  • 142217-69-4
  • Baraclude
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Properties
Property Value
MW 277.28 g/mol
HBD 4
HBA 5
Rotatable Bond Count 2
Exact Mass 277.11748936 g/mol
Monoisotopic Mass 277.11748936 g/mol
Heavy Atom Count 20
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 480
xlogp -1.3
Topological Polar Surface Area 126