SMILES:
CC1(C)COC(=NC#N)N1c1nc(-c2ccc(C#N)cc2)cs1Molecular Processing
Molecular formula
C16H13N5OS
Molecular weight
323.38
Exact mass
323.0841
XLogP
3.13
TPSA
85.3
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
87.82
Supplementary Information
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