名称: 7-(4-chlorobenzoyl)-3-methylthioindolin-2-one
SMILES:
CSC1C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)cccc21Molecular Processing
Molecular formula
C16H12ClNO2S
Molecular weight
317.8
Exact mass
317.0277
XLogP
3.93
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
86.21
Supplementary Information
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