SMILES:
Cl.NCCCN(CCCCc1ccccc1)S(=O)(=O)c1cccc2cnccc12Molecular Processing
Molecular formula
C22H28ClN3O2S
Molecular weight
434.01
Exact mass
433.1591
XLogP
4.02
TPSA
76.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.318
Molar refractivity
120.8
Supplementary Information
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