Name: 1-[2-chloro-4-(methylsulphenyl)phenyl]-3-cyclopropylprop-1-yn-3-one
SMILES:
CSc1ccc(C#CC(=O)C2CC2)c(Cl)c1Molecular Processing
Molecular formula
C13H11ClOS
Molecular weight
250.75
Exact mass
250.0219
XLogP
3.39
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
67.84
Supplementary Information
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