SMILES:
CC(C)CC(CO)Nc1nc2ccc(Oc3ccnc(Cl)c3)cc2s1Molecular Processing
Molecular formula
C18H20ClN3O2S
Molecular weight
377.9
Exact mass
377.0965
XLogP
4.96
TPSA
67.27
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
102.89
Supplementary Information
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