SMILES:
CCO/C(=N/O)C1Cc2cc(C(C)=O)c(O)c(Cl)c2O1Molecular Processing
Molecular formula
C13H14ClNO5
Molecular weight
299.71
Exact mass
299.0561
XLogP
2.38
TPSA
88.35
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
72.09
Supplementary Information
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