Name: ester
SMILES:
C=C(c1ccc(C(=O)OC)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)CMolecular Processing
Molecular formula
C24H28O2
Molecular weight
348.49
Exact mass
348.2089
XLogP
5.88
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
107.65
Supplementary Information
Details werden geladen…
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