Name: 4-[3-(8,8-dimethyl-5-p-tolyl-7,8-dihydro-2-naphthyl)-3-oxopropenyl]benzoic acid
SMILES:
Cc1ccc(C2=CCC(C)(C)c3cc(C(=O)C=Cc4ccc(C(=O)O)cc4)ccc32)cc1Molecular Processing
Molecular formula
C29H26O3
Molecular weight
422.52
Exact mass
422.1882
XLogP
6.7
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.172
Molar refractivity
129.11
Supplementary Information
Details werden geladen…
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