O=C1C2CCC(C2)C(=O)C1c1csc(-c2ccc(Cl)cc2)n1
SMILES: O=C1C2CCC(C2)C(=O)C1c1csc(-c2ccc(Cl)cc2)n1

Molecular Processing

Molecular formula
C17H14ClNO2S
Molecular weight
331.82
Exact mass
331.0434
XLogP
4.12
TPSA
47.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
86.15

Supplementary Information

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