COc1nc(Cl)c(F)c(NNC(=O)C(CC2CCCC2)CN(C=O)OCc2ccccc2)n1
SMILES: COc1nc(Cl)c(F)c(NNC(=O)C(CC2CCCC2)CN(C=O)OCc2ccccc2)n1

Molecular Processing

Molecular formula
C22H27ClFN5O4
Molecular weight
479.94
Exact mass
479.1736
XLogP
3.51
TPSA
105.68
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
119.38

Supplementary Information

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