SMILES:
Cc1cc(Cl)n2c(C#N)cc(-c3ccc(C(C)C)cc3Br)c2n1Molecular Processing
Molecular formula
C18H15BrClN3
Molecular weight
388.7
Exact mass
387.0138
XLogP
5.72
TPSA
41.09
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
96.88
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→