Nombre: product
SMILES:
N#Cc1ccc(Cl)cc1O[C@H](CCCI)c1ccccc1Molecular Processing
Molecular formula
C17H15ClINO
Molecular weight
411.67
Exact mass
410.9887
XLogP
5.55
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
94.1
Supplementary Information
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