SMILES:
Cn1nncc1[C@H]1CCCC[C@@H]1OMolecular Processing
Molecular formula
C9H15N3O
Molecular weight
181.24
Exact mass
181.1215
XLogP
0.83
TPSA
50.94
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
48.22
Supplementary Information
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