CCC1(C)CC(c2ccc(F)c(Cl)c2)N(CCC(C)C)c2ccc(C(=O)O)nc21
SMILES: CCC1(C)CC(c2ccc(F)c(Cl)c2)N(CCC(C)C)c2ccc(C(=O)O)nc21

Molecular Processing

Molecular formula
C23H28ClFN2O2
Molecular weight
418.94
Exact mass
418.1823
XLogP
6.24
TPSA
53.43
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
114.41

Supplementary Information

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