Nombre: 2-butyl-4-chloro-5-methoxy-2-(3-oxo-pentyl)-1-indanone
SMILES:
CCCCC1(CCC(=O)CC)Cc2c(ccc(OC)c2Cl)C1=OMolecular Processing
Molecular formula
C19H25ClO3
Molecular weight
336.86
Exact mass
336.1492
XLogP
5.02
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
92.53
Supplementary Information
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