SMILES:
C[C@@H]1C[C@@H](O)c2ncnc(C3CCNCC3)c21Molecular Processing
Molecular formula
C13H19N3O
Molecular weight
233.31
Exact mass
233.1528
XLogP
1.48
TPSA
58.04
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
64.87
Supplementary Information
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