SMILES:
CCCC(=O)OC(C)c1nccc(Cl)n1Molecular Processing
Molecular formula
C10H13ClN2O2
Molecular weight
228.68
Exact mass
228.0666
XLogP
2.53
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
56.46
Supplementary Information
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