SMILES:
CCOC(=O)N1CCC(c2ccc(Cl)cc2)(c2ccc(Br)cc2)CC1Molecular Processing
Molecular formula
C20H21BrClNO2
Molecular weight
422.75
Exact mass
421.0444
XLogP
5.64
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
104.2
Supplementary Information
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