SMILES:
O=S(=O)(c1ccccc1)n1cc(C2=CCN3CCCC3C2)c2cnccc21Molecular Processing
Molecular formula
C21H21N3O2S
Molecular weight
379.49
Exact mass
379.1354
XLogP
3.52
TPSA
55.2
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
105.95
Supplementary Information
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