SMILES:
NC1=N[C@@]2(CC(c3ccccc3)Oc3ccc(-c4cncc(Cl)c4)cc32)C(F)(F)CO1Molecular Processing
Molecular formula
C23H18ClF2N3O2
Molecular weight
441.87
Exact mass
441.1056
XLogP
5.1
TPSA
69.73
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
113.31
Supplementary Information
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