SMILES:
CC(=O)Nc1cc(N)c(C#N)c(Br)n1Molecular Processing
Molecular formula
C8H7BrN4O
Molecular weight
255.07
Exact mass
253.9803
XLogP
1.26
TPSA
91.8
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
55.37
Supplementary Information
Details werden geladen…
An 5 Reaktionen beteiligt→