SMILES:
N#CC1CCCc2c(C(=O)O)cccc21Molecular Processing
Molecular formula
C12H11NO2
Molecular weight
201.23
Exact mass
201.079
XLogP
2.33
TPSA
61.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
54.69
Supplementary Information
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