SMILES:
CCOC(=O)Cc1cc(C)c(C(=O)Cl)n1CMolecular Processing
Molecular formula
C11H14ClNO3
Molecular weight
243.69
Exact mass
243.0662
XLogP
1.82
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
60.67
Supplementary Information
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