O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1Cc1c[nH]c2ccccc12
SMILES: O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1Cc1c[nH]c2ccccc12

Molecular Processing

Molecular formula
C22H19F6N3O
Molecular weight
455.4
Exact mass
455.1432
XLogP
4.86
TPSA
48.13
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
106.14

Supplementary Information

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