SMILES:
CCc1cccc(CC)c1NCC=OMolecular Processing
Molecular formula
C12H17NO
Molecular weight
191.27
Exact mass
191.131
XLogP
2.42
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
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
0.417
Molar refractivity
59.75
Supplementary Information
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