SMILES:
N#Cc1ncn2c1C1CCN1C(=O)c1sccc1-2Molecular Processing
Molecular formula
C12H8N4OS
Molecular weight
256.29
Exact mass
256.0419
XLogP
1.71
TPSA
61.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
18
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
64.55
Supplementary Information
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