이름: product
SMILES:
CC(C)(C)OC(=O)C1CN(Cc2ccccc2)CC1c1cc(Br)c(Br)s1Molecular Processing
Molecular formula
C20H23Br2NO2S
Molecular weight
501.28
Exact mass
498.9816
XLogP
5.83
TPSA
29.54
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
113.51
Supplementary Information
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