C=Cc1ccc(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)cc1
SMILES: C=Cc1ccc(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)cc1

Molecular Processing

Molecular formula
C25H26FN3O3
Molecular weight
435.5
Exact mass
435.1958
XLogP
3.82
TPSA
65.78
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
124.82

Supplementary Information

Details werden geladen…

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