SMILES:
CN1CCc2nc3ccc(Cl)cc3c(SCCCN)c2C1Molecular Processing
Molecular formula
C16H20ClN3S
Molecular weight
321.88
Exact mass
321.1066
XLogP
3.32
TPSA
42.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
91.19
Supplementary Information
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