Name: compound
SMILES:
CC1(C)CCC2(CC1)N[C@@H](C(=O)O)[C@H](c1cccc(Cl)c1F)C21C(=O)Nc2cc(Cl)ccc21Molecular Processing
Molecular formula
C25H25Cl2FN2O3
Molecular weight
491.39
Exact mass
490.1226
XLogP
5.5
TPSA
78.43
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
125.45
Supplementary Information
Details werden geladen…
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