Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4cccs4)cc3=O)cn12
SMILES: Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4cccs4)cc3=O)cn12

Molecular Processing

Molecular formula
C21H19N3O2S
Molecular weight
377.47
Exact mass
377.1198
XLogP
4.31
TPSA
48.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
106.15

Supplementary Information

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