SMILES:
CC(C)(C)CC1NC(C(=O)Nc2ccn(CCO)n2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12Molecular Processing
Molecular formula
C28H30Cl2FN5O3
Molecular weight
574.48
Exact mass
573.171
XLogP
4.71
TPSA
108.28
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
148.64
Supplementary Information
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