SMILES:
OC1CCCCC1n1ccnc1Molecular Processing
Molecular formula
C9H14N2O
Molecular weight
166.22
Exact mass
166.1106
XLogP
1.36
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
45.74
Supplementary Information
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