SMILES:
COc1ccc2c(OCc3nnc4ccc(-c5ccc(O)c(F)c5)nn34)ccnc2c1Molecular Processing
Molecular formula
C22H16FN5O3
Molecular weight
417.4
Exact mass
417.1237
XLogP
3.77
TPSA
94.66
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
110.47
Supplementary Information
Details werden geladen…
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