SMILES:
C=C(C)CC1(c2ccccc2)CCN(C(C)c2ccc(Br)cc2C)C(=O)O1Molecular Processing
Molecular formula
C23H26BrNO2
Molecular weight
428.37
Exact mass
427.1147
XLogP
6.52
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
27
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
0.348
Molar refractivity
112.65
Supplementary Information
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