Название: (+/-) ethyl 4-[(5,5-dimethyl-8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)azo]benzoate
SMILES:
CCOC(=O)c1ccc(N=Nc2ccc3c(c2)C(O)CCC3(C)C)cc1Molecular Processing
Molecular formula
C21H24N2O3
Molecular weight
352.43
Exact mass
352.1787
XLogP
5.38
TPSA
71.25
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
100.24
Supplementary Information
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