SMILES:
CC(C#N)(Cn1nc2cc(Cl)cc(C(F)(F)F)c2n1)NC(=O)c1ccc(Oc2ccccc2)cc1Molecular Processing
Molecular formula
C24H17ClF3N5O2
Molecular weight
499.88
Exact mass
499.1023
XLogP
5.61
TPSA
92.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
121.98
Supplementary Information
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