SMILES:
COc1cc(O)cc(Nc2c(C#N)cnc3ccc4c(c23)CCS4(=O)=O)c1Molecular Processing
Molecular formula
C19H15N3O4S
Molecular weight
381.41
Exact mass
381.0783
XLogP
2.89
TPSA
112.31
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
100.16
Supplementary Information
Obteniendo detalles…
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