名称: 9a-butyl-8-chloro-4-cyano-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
SMILES:
CCCCC12CCC(=O)C(C#N)=C1c1ccc(OC)c(Cl)c1C2Molecular Processing
Molecular formula
C19H20ClNO2
Molecular weight
329.83
Exact mass
329.1183
XLogP
4.72
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
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
0.474
Molar refractivity
90.44
Supplementary Information
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