SMILES:
CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(CO)CC1Molecular Processing
Molecular formula
C31H30Cl2F3N3O3
Molecular weight
620.5
Exact mass
619.1616
XLogP
7.78
TPSA
65.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
156.15
Supplementary Information
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