Name: 3-(N-ethyl-N-p-tolyl)amino-6-methyl-7-anilinofluoran
SMILES:
CCN(c1ccc(C)cc1)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21Molecular Processing
Molecular formula
C36H30N2O3
Molecular weight
538.65
Exact mass
538.2256
XLogP
8.77
TPSA
50.8
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
41
Rings
7
Aromatic rings
5
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.139
Molar refractivity
163.02
Supplementary Information
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