Nombre: 4-bromo-9a-butyl-7-methoxy-2,9-dihydro-1H-fluoren-3-one
SMILES:
CCCCC12CCC(=O)C(=C1C3=C(C2)C=C(C=C3)OC)BrMolecular Processing
Molecular formula
C18H21BrO2
Molecular weight
349.27
Exact mass
348.0725
XLogP
4.9
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88.74
Supplementary Information
InChIKey: SPAFSWGQVXGSKT-UHFFFAOYSA-N
Sinónimos
SCHEMBL2417960SPAFSWGQVXGSKT-UHFFFAOYSA-N4-bromo-9a-butyl-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
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