CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cccc(C(=O)O)c2)c1F
SMILES: CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cccc(C(=O)O)c2)c1F

Molecular Processing

Molecular formula
C17H15ClFNO3
Molecular weight
335.76
Exact mass
335.0724
XLogP
3.82
TPSA
80.39
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
85.46

Supplementary Information

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