SMILES:
COc1c(C)cnc(CSc2nc3ccccc3[nH]2)c1CMolecular Processing
Molecular formula
C16H17N3OS
Molecular weight
299.4
Exact mass
299.1092
XLogP
3.88
TPSA
50.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
85.92
Supplementary Information
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