Name: Methyl 6-(cyclopentylmethylene)-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILES:
COC(=O)c1ccc2c(c1)CCC(=CC1CCCC1)C2=OMolecular Processing
Molecular formula
C18H20O3
Molecular weight
284.35
Exact mass
284.1412
XLogP
3.72
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
80.47
Supplementary Information
Details werden geladen…
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