SMILES:
COc1cc(Cl)c(-n2c(=O)[nH]c3cnc(C(N)=O)nc32)cc1OCc1c(OC)ccc(F)c1FMolecular Processing
Molecular formula
C21H16ClF2N5O5
Molecular weight
491.84
Exact mass
491.0808
XLogP
2.74
TPSA
134.35
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
116.81
Supplementary Information
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