SMILES:
CC1=C(C(=O)Nc2ccccc2)SC2=NCCN21Molecular Processing
Molecular formula
C13H13N3OS
Molecular weight
259.33
Exact mass
259.0779
XLogP
2.28
TPSA
44.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
74.37
Supplementary Information
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