SMILES:
C#CCC(c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCN)C(=O)c1cccc(Cl)c1FMolecular Processing
Molecular formula
C28H24Cl2FN5O2
Molecular weight
552.44
Exact mass
551.1291
XLogP
5.27
TPSA
93.25
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
148.78
Supplementary Information
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