SMILES:
Cc1c(SCCN(C)Cc2ccccc2)ccnc1COMolecular Processing
Molecular formula
C17H22N2OS
Molecular weight
302.44
Exact mass
302.1453
XLogP
3.11
TPSA
36.36
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
88.4
Supplementary Information
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