SMILES:
N#Cc1ccc(N(CCCCBr)n2cnnc2)cc1Molecular Processing
Molecular formula
C13H14BrN5
Molecular weight
320.19
Exact mass
319.0433
XLogP
2.59
TPSA
57.74
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
76.95
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→