Name: ethyl-4-acetylamino-3-allylbenzoate
SMILES:
C=CCc1cc(C(=O)OCC)ccc1NC(C)=OMolecular Processing
Molecular formula
C14H17NO3
Molecular weight
247.29
Exact mass
247.1208
XLogP
2.55
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
70.6
Supplementary Information
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