SMILES:
O=C(NCC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21)C1CCCCC1Molecular Processing
Molecular formula
C24H24BrN3O
Molecular weight
450.38
Exact mass
449.1103
XLogP
5.11
TPSA
46.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
117.57
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→