SMILES:
O=C1C(Cc2cccc(Br)c2)OCCN1Cc1ccccc1Molecular Processing
Molecular formula
C18H18BrNO2
Molecular weight
360.25
Exact mass
359.0521
XLogP
3.42
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
89.45
Supplementary Information
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