SMILES:
COc1ccc2cc(-c3nc(-c4ccc(C(=O)O)cc4)cc(SC)c3C#N)ccc2c1Molecular Processing
Molecular formula
C25H18N2O3S
Molecular weight
426.5
Exact mass
426.1038
XLogP
5.87
TPSA
83.21
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
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
0.08
Molar refractivity
122.62
Supplementary Information
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