SMILES:
CCCCCCCCCCC#Cc1ccc2c(c1)c(C=O)cn2S(=O)(=O)c1ccc(C)cc1Molecular Processing
Molecular formula
C28H33NO3S
Molecular weight
463.64
Exact mass
463.2181
XLogP
6.88
TPSA
56.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
135.19
Supplementary Information
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