SMILES:
O=C1O[C@]2(CN3CCC2CC3)CN1c1nnc(-c2ccncc2)s1Molecular Processing
Molecular formula
C16H17N5O2S
Molecular weight
343.41
Exact mass
343.1103
XLogP
2.02
TPSA
71.45
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
24
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88.86
Supplementary Information
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