SMILES:
Cc1ccncc1N1CCN(c2ccc3sccc3c2)C1=OMolecular Processing
Molecular formula
C17H15N3OS
Molecular weight
309.39
Exact mass
309.0936
XLogP
4.05
TPSA
36.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
90.89
Supplementary Information
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