SMILES:
CSc1ccc(C2(O)CCCn3cncc32)cc1Molecular Processing
Molecular formula
C14H16N2OS
Molecular weight
260.36
Exact mass
260.0983
XLogP
2.63
TPSA
38.05
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
72.68
Supplementary Information
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