SMILES:
CCCOc1cc(SC)ccc1-c1nc2nc(OC)ccc2[nH]1.ClMolecular Processing
Molecular formula
C17H20ClN3O2S
Molecular weight
365.89
Exact mass
365.0965
XLogP
4.57
TPSA
60.03
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.294
Molar refractivity
100.69
Supplementary Information
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