SMILES:
CC(O)(CCCC#N)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C12H14ClNO
Molecular weight
223.7
Exact mass
223.0764
XLogP
3.24
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
60.49
Supplementary Information
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