CCOC(=O)[C@H]1CCC(c2ccc(Cl)cc2)=N1
SMILES: CCOC(=O)[C@H]1CCC(c2ccc(Cl)cc2)=N1

Molecular Processing

Molecular formula
C13H14ClNO2
Molecular weight
251.71
Exact mass
251.0713
XLogP
2.85
TPSA
38.66
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
67.64

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt