SMILES:
N#Cc1ccc(-c2csc(NCCO)n2)cc1Molecular Processing
Molecular formula
C12H11N3OS
Molecular weight
245.31
Exact mass
245.0623
XLogP
2.09
TPSA
68.94
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
67.84
Supplementary Information
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