SMILES:
[Cl-].c1ccc(C2CC(c3csc(C4CC[NH2+]CC4)n3)=NO2)c(OCC2CCCCC2)c1Molecular Processing
Molecular formula
C24H32ClN3O2S
Molecular weight
462.06
Exact mass
461.1904
XLogP
1.41
TPSA
60.32
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.583
Molar refractivity
119.24
Supplementary Information
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