Название: 9a-butyl-4-cyano-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
SMILES:
CCCCC12CCC(=O)C(C#N)=C1c1ccc(OC)cc1C2Molecular Processing
Molecular formula
C19H21NO2
Molecular weight
295.38
Exact mass
295.1572
XLogP
4.07
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
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
3
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
85.43
Supplementary Information
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