Name: 2-[(Pyridin-4-ylmethyl)-amino]-benzoic acid pentafluorophenyl ester
SMILES:
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1NCc1ccncc1Molecular Processing
Molecular formula
C19H11F5N2O2
Molecular weight
394.3
Exact mass
394.0741
XLogP
4.61
TPSA
51.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
89.2
Supplementary Information
Details werden geladen…
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