SMILES:
Nc1nnc(NCCCOc2cccc(CN3CCCCC3)c2)s1Molecular Processing
Molecular formula
C17H25N5OS
Molecular weight
347.49
Exact mass
347.178
XLogP
2.99
TPSA
76.3
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
98.49
Supplementary Information
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