SMILES:
COc1cccc2c1CCc1sc(Cc3c[nH]cn3)nc1-2Molecular Processing
Molecular formula
C16H15N3OS
Molecular weight
297.38
Exact mass
297.0936
XLogP
3.23
TPSA
50.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
82.9
Supplementary Information
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