SMILES:
CC1(C)COC(=N)N1c1nc(-c2ccc(C#N)cc2)cs1Molecular Processing
Molecular formula
C15H14N4OS
Molecular weight
298.37
Exact mass
298.0888
XLogP
3.23
TPSA
73
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
82.5
Supplementary Information
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