CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1)CC1CC1
SMILES: CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1)CC1CC1

Molecular Processing

Molecular formula
C24H30BrNO2
Molecular weight
444.41
Exact mass
443.146
XLogP
5.96
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
118.2

Supplementary Information

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