SMILES:
COCC1CC1c1cccc(C2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)c1Molecular Processing
Molecular formula
C22H23F2N3O3
Molecular weight
415.44
Exact mass
415.1707
XLogP
3.07
TPSA
77.15
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
107.41
Supplementary Information
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