SMILES:
C1CSc2c(nc(N3CCNCC3)nc2N2CCOCC2)C1Molecular Processing
Molecular formula
C15H23N5OS
Molecular weight
321.45
Exact mass
321.1623
XLogP
0.76
TPSA
53.52
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.733
Molar refractivity
89.19
Supplementary Information
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