Name: 3-chloro-4-(5-methyl-morpholin-3-on-4-yl)-benzoic acid
SMILES:
CC1COCC(=O)N1c1ccc(C(=O)O)cc1ClMolecular Processing
Molecular formula
C12H12ClNO4
Molecular weight
269.68
Exact mass
269.0455
XLogP
1.79
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
66.18
Supplementary Information
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