SMILES:
CC(C)C1SC(NC2(c3ccc(Cl)cc3)CCC2)=NC1=OMolecular Processing
Molecular formula
C16H19ClN2OS
Molecular weight
322.86
Exact mass
322.0907
XLogP
3.96
TPSA
41.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88.78
Supplementary Information
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