Cl.O=C(Nc1ccn(C[C@@H](O)CO)n1)[C@H](CC1CCCCC1)N1CC(Oc2c(F)ccc(Cl)c2F)=CC1=O
SMILES: Cl.O=C(Nc1ccn(C[C@@H](O)CO)n1)[C@H](CC1CCCCC1)N1CC(Oc2c(F)ccc(Cl)c2F)=CC1=O

Molecular Processing

Molecular formula
C25H30Cl2F2N4O5
Molecular weight
575.44
Exact mass
574.1561
XLogP
3.67
TPSA
116.92
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.48
Molar refractivity
137.97

Supplementary Information

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