Nombre: 2-butyl-4-chloro-5-methoxy-2-(3-oxobutyl)-1-indanone
SMILES:
CCCCC1(CCC(C)=O)Cc2c(ccc(OC)c2Cl)C1=OMolecular Processing
Molecular formula
C18H23ClO3
Molecular weight
322.83
Exact mass
322.1336
XLogP
4.63
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22
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
0.556
Molar refractivity
87.91
Supplementary Information
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