Name: 4-[(6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl)-oxy]butanoic acid
SMILES:
CC1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=OMolecular Processing
Molecular formula
C19H22Cl2O4
Molecular weight
385.29
Exact mass
384.0895
XLogP
5.17
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
96.93
Supplementary Information
Details werden geladen…
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