SMILES:
CCc1cccc2c(C(c3cccc(Br)c3)N(C)C)c[nH]c12Molecular Processing
Molecular formula
C19H21BrN2
Molecular weight
357.3
Exact mass
356.0888
XLogP
5.14
TPSA
19.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
97.35
Supplementary Information
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