SMILES:
O=c1c2ccccc2[nH]c(=S)n1CCCSc1ccncc1Molecular Processing
Molecular formula
C16H15N3OS2
Molecular weight
329.45
Exact mass
329.0657
XLogP
3.64
TPSA
50.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
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
0.188
Molar refractivity
92.97
Supplementary Information
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