SMILES:
CCN(CC)c1ncnc2sc3c(c12)CCCC3Molecular Processing
Molecular formula
C14H19N3S
Molecular weight
261.39
Exact mass
261.13
XLogP
3.42
TPSA
29.02
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
77.62
Supplementary Information
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