SMILES:
C=CC(=O)N1Cc2cc(OC)ccc2SC(Cl)C1Molecular Processing
Molecular formula
C13H14ClNO2S
Molecular weight
283.78
Exact mass
283.0434
XLogP
2.88
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
74.11
Supplementary Information
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