O=c1cc(OCc2ccc(Cl)cc2)cc[nH]1
Name: 4-(4-chlorobenzyloxy)pyridin-2(1H)-one
SMILES: O=c1cc(OCc2ccc(Cl)cc2)cc[nH]1

Molecular Processing

Molecular formula
C12H10ClNO2
Molecular weight
235.67
Exact mass
235.04
XLogP
2.61
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
62.85

Supplementary Information

Details werden geladen…

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