SMILES:
COc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1ccccc1Br)=CC(C)(C)N2Molecular Processing
Molecular formula
C28H30BrNO2
Molecular weight
492.46
Exact mass
491.146
XLogP
7.36
TPSA
30.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
137.37
Supplementary Information
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