COC(=O)c1c(Cl)c(F)c(=O)n2c1CCCC2
名称: Methyl 8-chloro-7-fluoro-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxylate
SMILES: COC(=O)c1c(Cl)c(F)c(=O)n2c1CCCC2

Molecular Processing

Molecular formula
C11H11ClFNO3
Molecular weight
259.66
Exact mass
259.0411
XLogP
1.76
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
59.95

Supplementary Information

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