SMILES:
CC(C)(C)CC1NC(C(=O)Nc2cnc(C#N)nc2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12Molecular Processing
Molecular formula
C28H25Cl2FN6O2
Molecular weight
567.45
Exact mass
566.14
XLogP
5.18
TPSA
119.8
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
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
0.321
Molar refractivity
146.07
Supplementary Information
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