CCOC(=O)C1CCN(c2ccnc(Cl)c2)CC1
名称: ethyl 1-(2-chloropyridine-4-yl)-4-piperidinecarboxylate
SMILES: CCOC(=O)C1CCN(c2ccnc(Cl)c2)CC1

Molecular Processing

Molecular formula
C13H17ClN2O2
Molecular weight
268.74
Exact mass
268.0979
XLogP
2.51
TPSA
42.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
70.82

Supplementary Information

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