SMILES:
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(Sc2ccccc2)=CCC3(C)C)cc1Molecular Processing
Molecular formula
C29H26O2S
Molecular weight
438.59
Exact mass
438.1654
XLogP
7.08
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
132.74
Supplementary Information
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