SMILES:
Cc1nc(C#Cc2ccc(C3CCCCC3)nc2)cs1Molecular Processing
Molecular formula
C17H18N2S
Molecular weight
282.41
Exact mass
282.1191
XLogP
4.29
TPSA
25.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
82.89
Supplementary Information
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