Nom: 5-fluoro-3-hydroxy-3-(hydroxymethyl)-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
SMILES:
C1C(C2=C3N1C(=O)C=CC3=NC=C2F)(CO)OMolecular Processing
Molecular formula
C11H9FN2O3
Molecular weight
236.2
Exact mass
236.0597
XLogP
-0.27
TPSA
75.35
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
56.94
Supplementary Information
InChIKey: BXJYLIMJPZGRAG-UHFFFAOYSA-N
Synonymes
SCHEMBL2766721BXJYLIMJPZGRAG-UHFFFAOYSA-N(4R/S)-3-fluoro-4-hydroxy-4-(hydroxymethyl)-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
Impliqué dans 1 réactions→