SMILES:
CC(C)C1CCC2(CC(=NC#N)c3cc(Br)ccc3O2)C1Molecular Processing
Molecular formula
C17H19BrN2O
Molecular weight
347.26
Exact mass
346.0681
XLogP
4.7
TPSA
45.38
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
86.45
Supplementary Information
Récupération des détails…
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