SMILES:
ON=CC1CCSc2c1c1ccccc1n2-c1ccccc1Molecular Processing
Molecular formula
C18H16N2OS
Molecular weight
308.41
Exact mass
308.0983
XLogP
4.67
TPSA
37.52
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
91.64
Supplementary Information
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