SMILES:
CC(C)NC(O)=[SH]CCCN1CCN(Cc2ccc(Cl)cc2)CC1.Cl.ClMolecular Processing
Molecular formula
C18H32Cl3N3OS
Molecular weight
444.9
Exact mass
443.1332
XLogP
3.8
TPSA
38.74
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.611
Molar refractivity
122.04
Supplementary Information
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