SMILES:
CN(C)C1(c2ccc(Br)cc2)CCC(O)(CCc2ccccc2)CC1Molecular Processing
Molecular formula
C22H28BrNO
Molecular weight
402.38
Exact mass
401.1354
XLogP
5.14
TPSA
23.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
107.69
Supplementary Information
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