SMILES:
CCCN1CCC=C2c3sc(N)nc3CCC21Molecular Processing
Molecular formula
C13H19N3S
Molecular weight
249.38
Exact mass
249.13
XLogP
2.54
TPSA
42.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
73.09
Supplementary Information
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