SMILES:
OC(C#Cc1cccs1)(CCl)C1(Cl)CC1Molecular Processing
Molecular formula
C11H10Cl2OS
Molecular weight
261.17
Exact mass
259.9829
XLogP
2.84
TPSA
20.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
64.68
Supplementary Information
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