SMILES:
CC12CCC(O1)C1C(OCc3cnc(-c4ccc(Cl)cc4)s3)=CC(=O)C12Molecular Processing
Molecular formula
C20H18ClNO3S
Molecular weight
387.89
Exact mass
387.0696
XLogP
4.63
TPSA
48.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
99.93
Supplementary Information
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