SMILES:
C[C@@H]1CN[C@H](Cc2cc(-c3cccnn3)ccc2F)CO1.ClMolecular Processing
Molecular formula
C16H19ClFN3O
Molecular weight
323.8
Exact mass
323.1201
XLogP
2.62
TPSA
47.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.375
Molar refractivity
85.58
Supplementary Information
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