SMILES:
CCNCc1cccc(C(C)=O)c1Molecular Processing
Molecular formula
C11H15NO
Molecular weight
177.25
Exact mass
177.1154
XLogP
2
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
53.83
Supplementary Information
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