SMILES:
N#CNC(=O)C12CC3CC(CC(C3)C1)C2Molecular Processing
Molecular formula
C12H16N2O
Molecular weight
204.27
Exact mass
204.1263
XLogP
1.8
TPSA
52.89
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
54.36
Supplementary Information
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