Name: Ethyl-6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate
SMILES:
CCOC(=O)c1c[nH]c2ccc(Cl)cc2c1=OMolecular Processing
Molecular formula
C12H10ClNO3
Molecular weight
251.67
Exact mass
251.0349
XLogP
2.36
TPSA
59.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
65.54
Supplementary Information
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