SMILES:
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CNCCSCCO)ccc1ClMolecular Processing
Molecular formula
C23H33ClN2O2S
Molecular weight
437.05
Exact mass
436.1951
XLogP
4.1
TPSA
61.36
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
29
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
120.51
Supplementary Information
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