SMILES:
Cc1nc(-c2ccc(CC(C)(C)N)cc2)cs1Molecular Processing
Molecular formula
C14H18N2S
Molecular weight
246.38
Exact mass
246.1191
XLogP
3.4
TPSA
38.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
74.26
Supplementary Information
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