Nombre: product
SMILES:
OCC1CN(Cc2ccccc2)CC1c1cc(Br)cs1Molecular Processing
Molecular formula
C16H18BrNOS
Molecular weight
352.3
Exact mass
351.0292
XLogP
3.72
TPSA
23.47
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
87.05
Supplementary Information
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