SMILES:
O=Cc1cccc(C#CCCN2CCOCC2)c1Molecular Processing
Molecular formula
C15H17NO2
Molecular weight
243.31
Exact mass
243.1259
XLogP
1.57
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
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
0.4
Molar refractivity
70.58
Supplementary Information
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