SMILES:
CCCN1CCC[C@H]2Cc3nc(NC(C)=O)sc3C[C@@H]21Molecular Processing
Molecular formula
C15H23N3OS
Molecular weight
293.44
Exact mass
293.1562
XLogP
2.69
TPSA
45.23
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.733
Molar refractivity
82.2
Supplementary Information
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