SMILES:
C=C(CCl)CC1OC(=O)C=C1N1CCCC1Molecular Processing
Molecular formula
C12H16ClNO2
Molecular weight
241.72
Exact mass
241.087
XLogP
2.08
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
63.25
Supplementary Information
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Involved in 6 reactions→