SMILES:
CN1CCC(=C2c3ccccc3C=Cc3ccc(Br)cc32)CC1Molecular Processing
Molecular formula
C21H20BrN
Molecular weight
366.3
Exact mass
365.0779
XLogP
5.46
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
102.27
Supplementary Information
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