Name: 9a-butyl-8-chloro-6-fluoro-7-methoxy-4-(trifluoromethyl)-1,2,9,9a-tetrahydro-3H-fluoren-3-one
SMILES:
CCCCC12CCC(=O)C(C(F)(F)F)=C1c1cc(F)c(OC)c(Cl)c1C2Molecular Processing
Molecular formula
C19H19ClF4O2
Molecular weight
390.8
Exact mass
390.101
XLogP
5.9
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
90.84
Supplementary Information
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