SMILES:
CON=C(c1cccc(F)c1)C1CN(c2ncc(Cl)cc2C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)C1Molecular Processing
Molecular formula
C27H24ClFN4O4
Molecular weight
522.96
Exact mass
522.147
XLogP
4.48
TPSA
104.12
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
136.68
Supplementary Information
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