Название: 9a-butyl-7-methoxy-4-[4-(methoxymethoxy)phenyl]-2,9-dihydro-1H-fluoren-3-one
SMILES:
CCCCC12CCC(=O)C(=C1C3=C(C2)C=C(C=C3)OC)C4=CC=C(C=C4)OCOCMolecular Processing
Molecular formula
C26H30O4
Molecular weight
406.52
Exact mass
406.2144
XLogP
5.68
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
118.66
Supplementary Information
InChIKey: JPACQYBTBRXUGT-UHFFFAOYSA-N
Синонимы
SCHEMBL2416968JPACQYBTBRXUGT-UHFFFAOYSA-N9a-butyl-7-methoxy-4-(4-methoxymethoxy-phenyl)-1,2,9,9a-tetrahydro-3H-fluoren-3-one
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