SMILES:
COC(=O)C1Cc2cc(Nc3ncc(F)c(Nc4ccc(OC)c(Cl)c4)n3)ccc2O1Molecular Processing
Molecular formula
C21H18ClFN4O4
Molecular weight
444.85
Exact mass
444.1001
XLogP
4.24
TPSA
94.6
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
113.14
Supplementary Information
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