SMILES:
O=C1c2ccccc2C(=O)N1C1(c2ccc(Br)cc2)CC2(C1)OCCO2Molecular Processing
Molecular formula
C20H16BrNO4
Molecular weight
414.26
Exact mass
413.0263
XLogP
3.48
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
96.63
Supplementary Information
Details werden geladen…
An 10 Reaktionen beteiligt→