SMILES:
O=C(Cc1ccccc1)N1CC2C(C1)S(=O)(=O)CCC2(c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C27H27NO3S
Molecular weight
445.58
Exact mass
445.1712
XLogP
3.86
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
126.07
Supplementary Information
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