COc1ccc(CN2CCc3oc4c(Cl)cc(S(=O)(=O)c5ccccc5)cc4c3C2CF)cc1
Name: product
SMILES: COc1ccc(CN2CCc3oc4c(Cl)cc(S(=O)(=O)c5ccccc5)cc4c3C2CF)cc1

Molecular Processing

Molecular formula
C26H23ClFNO4S
Molecular weight
499.99
Exact mass
499.102
XLogP
6
TPSA
59.75
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
128.94

Supplementary Information

Details werden geladen…

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