Name: ethyl 5-chloro-2-cyano-2-(4-fluorophenyl)pentanoate
SMILES:
CCOC(=O)C(C#N)(CCCCl)c1ccc(F)cc1Molecular Processing
Molecular formula
C14H15ClFNO2
Molecular weight
283.73
Exact mass
283.0775
XLogP
3.17
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
70.28
Supplementary Information
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