SMILES:
CC1CCC(COc2ccc(F)cn2)CN1C(=O)c1cc(I)ccc1BrMolecular Processing
Molecular formula
C19H19BrFIN2O2
Molecular weight
533.18
Exact mass
531.9659
XLogP
4.91
TPSA
42.43
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
109.77
Supplementary Information
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