SMILES:
COC(=O)C=C(OC)c1ccccc1COc1nc(-c2ccccc2)cs1Molecular Processing
Molecular formula
C21H19NO4S
Molecular weight
381.45
Exact mass
381.1035
XLogP
4.55
TPSA
57.65
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
105.33
Supplementary Information
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