SMILES:
CCOC(=O)c1ccc(C#Cc2cc3c(cc2C)SCCC3(C)C)nc1Molecular Processing
Molecular formula
C22H23NO2S
Molecular weight
365.5
Exact mass
365.1449
XLogP
4.74
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
105.72
Supplementary Information
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