SMILES:
COc1ccc2[nH]cc(SCC#N)c2c1Molecular Processing
Molecular formula
C11H10N2OS
Molecular weight
218.28
Exact mass
218.0514
XLogP
2.79
TPSA
48.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
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
0.182
Molar refractivity
61.19
Supplementary Information
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Involved in 2 reactions→