이름: (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-iodobenzyl)amino]butan-2-ol dihydrochloride
SMILES:
Cl.Cl.N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1Molecular Processing
Molecular formula
C17H21Cl2F2IN2O
Molecular weight
505.17
Exact mass
504.0044
XLogP
3.43
TPSA
58.28
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.294
Molar refractivity
109.41
Supplementary Information
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