이름: 1-benzoyl-4-chloro-3-(5-ethoxy-4,5-dihydro-3-isoxazolyl)-1,2,5,6-tetrahydropyridine
SMILES:
CCOC1CC(C2=C(Cl)CCN(C(=O)c3ccccc3)C2)=NO1Molecular Processing
Molecular formula
C17H19ClN2O3
Molecular weight
334.8
Exact mass
334.1084
XLogP
3.16
TPSA
51.13
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
88.39
Supplementary Information
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