O=C1C(c2ccc(C(F)(F)F)cc2)=C(c2ccc(Cl)cc2)c2ccc(OCCN3CCOCC3)cc21
SMILES: O=C1C(c2ccc(C(F)(F)F)cc2)=C(c2ccc(Cl)cc2)c2ccc(OCCN3CCOCC3)cc21

Molecular Processing

Molecular formula
C28H23ClF3NO3
Molecular weight
513.94
Exact mass
513.1319
XLogP
6.23
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
132.34

Supplementary Information

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