O=C(N[C@@H]1CCCN2c3cc(Cl)c(Cl)cc3Oc3ccccc3[C@H]12)C(F)(F)F
SMILES: O=C(N[C@@H]1CCCN2c3cc(Cl)c(Cl)cc3Oc3ccccc3[C@H]12)C(F)(F)F

Molecular Processing

Molecular formula
C19H15Cl2F3N2O2
Molecular weight
431.24
Exact mass
430.0463
XLogP
5.49
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
100.28

Supplementary Information

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