Cc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2
SMILES: Cc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2

Molecular Processing

Molecular formula
C19H22ClN3O3S
Molecular weight
407.92
Exact mass
407.107
XLogP
2.65
TPSA
61.88
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
107.74

Supplementary Information

Details werden geladen…

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