Название: product
SMILES:
Cc1cc(C2CCCCC2)c(C#N)c(=O)[nH]1Molecular Processing
Molecular formula
C13H16N2O
Molecular weight
216.28
Exact mass
216.1263
XLogP
2.6
TPSA
56.65
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
62.34
Supplementary Information
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