Name: sitagliptin
SMILES:
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1FMolecular Processing
Molecular formula
C16H15F6N5O
Molecular weight
407.32
Exact mass
407.1181
XLogP
2.02
TPSA
77.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
83.05
Supplementary Information
Details werden geladen…
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