SMILES:
Clc1ccc2nc(NCC3CCN(CC4COc5ccccc5O4)CC3)sc2c1Molecular Processing
Molecular formula
C22H24ClN3O2S
Molecular weight
429.97
Exact mass
429.1278
XLogP
4.91
TPSA
46.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
118.64
Supplementary Information
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