SMILES:
CC(N)(CO)c1ccc2c(Br)c(OC3CCC(C(C)(C)C)CC3)ccc2c1Molecular Processing
Molecular formula
C23H32BrNO2
Molecular weight
434.42
Exact mass
433.1616
XLogP
5.75
TPSA
55.48
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
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
0.565
Molar refractivity
116.1
Supplementary Information
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