SMILES:
CC(C#N)c1cccc(C(=O)c2cc3sccc3s2)c1Molecular Processing
Molecular formula
C16H11NOS2
Molecular weight
297.4
Exact mass
297.0282
XLogP
4.82
TPSA
40.86
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
83.6
Supplementary Information
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