SMILES:
O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC1c1ccccn1Molecular Processing
Molecular formula
C17H16N4OS
Molecular weight
324.41
Exact mass
324.1045
XLogP
3.51
TPSA
61.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
89.15
Supplementary Information
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