SMILES:
COc1cc(C(=O)O)c(N)cc1OCCCClMolecular Processing
Molecular formula
C11H14ClNO4
Molecular weight
259.69
Exact mass
259.0611
XLogP
1.98
TPSA
81.78
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
65.2
Supplementary Information
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