SMILES:
Cc1ccncc1N1CCN(c2ccc3scnc3c2)C1=OMolecular Processing
Molecular formula
C16H14N4OS
Molecular weight
310.38
Exact mass
310.0888
XLogP
3.45
TPSA
49.33
H-bond donors
0
H-bond acceptors
4
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
6
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
88.68
Supplementary Information
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