SMILES:
N#CC(C#N)(CC=C(Br)Br)Cc1ccc(OC(F)(F)F)cc1Molecular Processing
Molecular formula
C14H9Br2F3N2O
Molecular weight
438.04
Exact mass
435.9034
XLogP
5.18
TPSA
56.81
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
81.04
Supplementary Information
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