SMILES:
O=C(Nc1ncc(SCCN2CCCC2)s1)N(C1CCCCC1)C1CCCCC1Molecular Processing
Molecular formula
C22H36N4OS2
Molecular weight
436.69
Exact mass
436.2331
XLogP
5.83
TPSA
48.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
123.12
Supplementary Information
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