Name: α-acetyl-4-phenylthiophenylacetonitrile
SMILES:
CC(=O)C(C#N)c1ccc(Sc2ccccc2)cc1Molecular Processing
Molecular formula
C16H13NOS
Molecular weight
267.35
Exact mass
267.0718
XLogP
4.03
TPSA
40.86
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
76.04
Supplementary Information
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