名称: 4-bromo-9a-butyl-8-chloro-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
SMILES:
CCCCC12CCC(=O)C(Br)=C1c1ccc(OC)c(Cl)c1C2Molecular Processing
Molecular formula
C18H20BrClO2
Molecular weight
383.71
Exact mass
382.0335
XLogP
5.55
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
93.75
Supplementary Information
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