NC1=N[C@@]2(CCC(F)(F)c3ccc(Br)cc32)C(F)(F)CO1
Name: (R)-7-bromo-4,4,5′,5′-tetrafluoro-3,4,5′,6′-tetrahydro-2H-spiro[naphthalene-1,4′-[1,3]oxazin]-2′-amine
SMILES: NC1=N[C@@]2(CCC(F)(F)c3ccc(Br)cc32)C(F)(F)CO1

Molecular Processing

Molecular formula
C13H11BrF4N2O
Molecular weight
367.14
Exact mass
365.9991
XLogP
3.51
TPSA
47.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
71.47

Supplementary Information

Details werden geladen…

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