이름: product
SMILES:
O=C1c2sccc2C2CN(Cc3ccccc3)CCC12Molecular Processing
Molecular formula
C17H17NOS
Molecular weight
283.4
Exact mass
283.1031
XLogP
3.55
TPSA
20.31
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
81.22
Supplementary Information
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