SMILES:
COC(=O)c1cccc(C2(C#N)CC2)c1ClMolecular Processing
Molecular formula
C12H10ClNO2
Molecular weight
235.67
Exact mass
235.04
XLogP
2.68
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.32
Supplementary Information
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