Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)s4)cc3=O)cn12
SMILES: Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)s4)cc3=O)cn12

Molecular Processing

Molecular formula
C21H18ClN3O2S
Molecular weight
411.91
Exact mass
411.0808
XLogP
4.96
TPSA
48.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
111.16

Supplementary Information

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