SMILES:
COc1ccc2c(c1Br)CC1CC2CN(Cc2ccccc2)C1Molecular Processing
Molecular formula
C20H22BrNO
Molecular weight
372.31
Exact mass
371.0885
XLogP
4.62
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
96.97
Supplementary Information
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