Name: ethyl 4-[(5,5-dimethyl-5,6-dihydro-naphthalen-8(7H)-one-2-yl)azo]benzoate
SMILES:
CCOC(=O)c1ccc(N=Nc2ccc3c(c2)C(=O)CCC3(C)C)cc1Molecular Processing
Molecular formula
C21H22N2O3
Molecular weight
350.42
Exact mass
350.163
XLogP
5.53
TPSA
68.09
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
99.61
Supplementary Information
Details werden geladen…
An 29 Reaktionen beteiligt→