Name: [1-oxo-2-isopropyl-2-(3-oxobutyl)-6,7-dichloro-5-indanyloxy]acetic acid
SMILES:
CC(=O)CCC1(C(C)C)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=OMolecular Processing
Molecular formula
C18H20Cl2O5
Molecular weight
387.26
Exact mass
386.0688
XLogP
4.21
TPSA
80.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
94.81
Supplementary Information
Details werden geladen…
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