SMILES:
N#CC(CCc1cccs1)(Cn1cncn1)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C17H15ClN4S
Molecular weight
342.86
Exact mass
342.0706
XLogP
4.09
TPSA
54.5
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
91.41
Supplementary Information
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