이름: benzyl 6a-(5-bromo-2-fluoro-phenyl)-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]isoxazole-5-carboxylate
SMILES:
O=C(OCc1ccccc1)N1CC2CONC2(c2cc(Br)ccc2F)C1Molecular Processing
Molecular formula
C19H18BrFN2O3
Molecular weight
421.27
Exact mass
420.0485
XLogP
3.59
TPSA
50.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
96.56
Supplementary Information
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