이름: mixture
SMILES:
CCOC(=O)c1sc2c(c(C)cc(=O)n2-c2ccccc2)c1Nc1ccccc1Molecular Processing
Molecular formula
C23H20N2O3S
Molecular weight
404.49
Exact mass
404.1195
XLogP
5.28
TPSA
60.33
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
117.84
Supplementary Information
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