SMILES:
N#CC1(c2ccc(Br)cn2)CCC(=O)CC1Molecular Processing
Molecular formula
C12H11BrN2O
Molecular weight
279.14
Exact mass
278.0055
XLogP
2.75
TPSA
53.75
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
62.7
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→