COc1cc(-c2ccccc2C(F)(F)F)c(Cl)cc1C(=O)N1Cc2cccn2Cc2ccccc21
SMILES: COc1cc(-c2ccccc2C(F)(F)F)c(Cl)cc1C(=O)N1Cc2cccn2Cc2ccccc21

Molecular Processing

Molecular formula
C27H20ClF3N2O2
Molecular weight
496.92
Exact mass
496.1165
XLogP
7.04
TPSA
34.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.148
Molar refractivity
128.93

Supplementary Information

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